1,4-Dithiothreitol
Star0
Identification
- Generic Name
- 1,4-Dithiothreitol
- DrugBank Accession Number
- DB04447
- Background
A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 154.251
Monoisotopic: 154.012220944 - Chemical Formula
- C4H10O2S2
- Synonyms
- 2,3-dihydroxy-1,4-dithiobutane
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UThymidylate synthase Not Available Escherichia coli (strain K12) UTriosephosphate isomerase Not Available Humans UMaleylacetoacetate isomerase Not Available Humans U3-hydroxy-3-methylglutaryl-coenzyme A reductase Not Available Humans UListeriolysin regulatory protein Not Available Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e) UProtease synthase and sporulation negative regulatory protein PAI 1 Not Available Bacillus subtilis (strain 168) UHolo-[acyl-carrier-protein] synthase Not Available Bacillus subtilis (strain 168) UHistidinol dehydrogenase Not Available Escherichia coli (strain K12) UShikimate dehydrogenase Not Available Escherichia coli (strain K12) UGalectin-1 Not Available Humans UCalcium/calmodulin-dependent protein kinase type II subunit alpha Not Available Humans U50S ribosomal protein L27 Not Available Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) URetinal dehydrogenase 1 Not Available Humans UOrganic hydroperoxide resistance protein Not Available Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) U3-carboxy-cis,cis-muconate cycloisomerase Not Available Pseudomonas putida UTransient receptor potential cation channel subfamily M member 7 Not Available Humans UUnsaturated glucuronyl hydrolase Not Available Bacillus sp. (strain GL1) UCyclic pyranopterin monophosphate synthase Not Available Staphylococcus aureus (strain MW2) UC protein alpha-antigen Not Available Streptococcus agalactiae serotype Ia (strain ATCC 27591 / A909 / CDC SS700) UMitochondrial peptide methionine sulfoxide reductase Not Available Humans UChaperone protein TorD Not Available Shewanella massilia UAxin-1 Not Available Humans UPeptidyl-prolyl cis-trans isomerase B Not Available Humans UAmylosucrase Not Available Neisseria polysaccharea - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Alcohols and polyols
- Direct Parent
- 1,2-diols
- Alternative Parents
- Secondary alcohols / Alkylthiols / Hydrocarbon derivatives
- Substituents
- 1,2-diol / Aliphatic acyclic compound / Alkylthiol / Hydrocarbon derivative / Organosulfur compound / Secondary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- 1,4-dithiothreitol (CHEBI:42106)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T8ID5YZU6Y
- CAS number
- 3483-12-3
- InChI Key
- VHJLVAABSRFDPM-IMJSIDKUSA-N
- InChI
- InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
- IUPAC Name
- (2R,3R)-1,4-disulfanylbutane-2,3-diol
- SMILES
- O[C@@H](CS)[C@@H](O)CS
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0013593
- KEGG Compound
- C00265
- PubChem Compound
- 439196
- PubChem Substance
- 46505212
- ChemSpider
- 388336
- ChEBI
- 42106
- ChEMBL
- CHEMBL406270
- ZINC
- ZINC000000895149
- PDBe Ligand
- DTT
- PDB Entries
- 1a78 / 1b2l / 1dk8 / 1dq8 / 1eac / 1f0c / 1f7t / 1fa2 / 1fvg / 1fw1 … show 294 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 5.14 mg/mL ALOGPS logP 0.18 ALOGPS logP -0.28 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 9.62 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 38.84 m3·mol-1 Chemaxon Polarizability 15.68 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 125.9241398 predictedDarkChem Lite v0.1.0 [M-H]- 128.65895 predictedDeepCCS 1.0 (2019) [M+H]+ 126.8939398 predictedDarkChem Lite v0.1.0 [M+H]+ 130.87355 predictedDeepCCS 1.0 (2019) [M+Na]+ 126.0103398 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.0194 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsThymidylate synthase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Thymidylate synthase activity
- Specific Function
- Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation.
- Gene Name
- thyA
- Uniprot ID
- P0A884
- Uniprot Name
- Thymidylate synthase
- Molecular Weight
- 30479.475 Da
References
2. DetailsTriosephosphate isomerase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Not Available
- Gene Name
- TPI1
- Uniprot ID
- P60174
- Uniprot Name
- Triosephosphate isomerase
- Molecular Weight
- 30790.785 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
3. DetailsMaleylacetoacetate isomerase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein homodimerization activity
- Specific Function
- Bifunctional enzyme showing minimal glutathione-conjugating activity with ethacrynic acid and 7-chloro-4-nitrobenz-2-oxa-1,3-diazole and maleylacetoacetate isomerase activity. Has also low glutathi...
- Gene Name
- GSTZ1
- Uniprot ID
- O43708
- Uniprot Name
- Maleylacetoacetate isomerase
- Molecular Weight
- 24212.005 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Nadph binding
- Specific Function
- Transmembrane glycoprotein that is the rate-limiting enzyme in cholesterol biosynthesis as well as in the biosynthesis of nonsterol isoprenoids that are essential for normal cell function including...
- Gene Name
- HMGCR
- Uniprot ID
- P04035
- Uniprot Name
- 3-hydroxy-3-methylglutaryl-coenzyme A reductase
- Molecular Weight
- 97475.155 Da
References
5. DetailsListeriolysin regulatory protein
- Kind
- Protein
- Organism
- Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
- Pharmacological action
- Unknown
- General Function
- Transcription factor activity, sequence-specific dna binding
- Specific Function
- Positively regulates expression of listeriolysin, of 1-phosphadidylinositol phosphodiesterase (PI-PLC) and other virulence factors.
- Gene Name
- prfA
- Uniprot ID
- P22262
- Uniprot Name
- Listeriolysin regulatory protein
- Molecular Weight
- 27301.24 Da
References
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Diamine n-acetyltransferase activity
- Specific Function
- Involved in the protection against polyamine toxicity by regulating their concentration. Also could be involved in the negative control of sporulation as well as production of degradative enzymes s...
- Gene Name
- paiA
- Uniprot ID
- P21340
- Uniprot Name
- Spermidine/spermine N(1)-acetyltransferase
- Molecular Weight
- 20014.605 Da
References
7. DetailsHolo-[acyl-carrier-protein] synthase
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Magnesium ion binding
- Specific Function
- Transfers the 4'-phosphopantetheine moiety from coenzyme A to a Ser of fatty acid acyl-carrier-protein ACP. Also modifies the D-alanyl carrier protein but fails to recognize PCP and AcpK, an acyl c...
- Gene Name
- acpS
- Uniprot ID
- P96618
- Uniprot Name
- Holo-[acyl-carrier-protein] synthase
- Molecular Weight
- 13717.63 Da
References
8. DetailsHistidinol dehydrogenase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Catalyzes the sequential NAD-dependent oxidations of L-histidinol to L-histidinaldehyde and then to L-histidine.
- Gene Name
- hisD
- Uniprot ID
- P06988
- Uniprot Name
- Histidinol dehydrogenase
- Molecular Weight
- 46109.815 Da
References
9. DetailsShikimate dehydrogenase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Shikimate 3-dehydrogenase (nadp+) activity
- Specific Function
- Involved in the biosynthesis of the chorismate, which leads to the biosynthesis of aromatic amino acids. Catalyzes the reversible NADPH linked reduction of 3-dehydroshikimate (DHSA) to yield shikim...
- Gene Name
- aroE
- Uniprot ID
- P15770
- Uniprot Name
- Shikimate dehydrogenase (NADP(+))
- Molecular Weight
- 29413.305 Da
References
10. DetailsGalectin-1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Signal transducer activity
- Specific Function
- Lectin that binds beta-galactoside and a wide array of complex carbohydrates. Plays a role in regulating apoptosis, cell proliferation and cell differentiation. Inhibits CD45 protein phosphatase ac...
- Gene Name
- LGALS1
- Uniprot ID
- P09382
- Uniprot Name
- Galectin-1
- Molecular Weight
- 14715.57 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein serine/threonine kinase activity
- Specific Function
- CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system that may function in long-term potentiation and neurotransmitter release. Member of the NMDAR signaling complex in excitato...
- Gene Name
- CAMK2A
- Uniprot ID
- Q9UQM7
- Uniprot Name
- Calcium/calmodulin-dependent protein kinase type II subunit alpha
- Molecular Weight
- 54087.265 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
12. Details50S ribosomal protein L27
- Kind
- Protein
- Organism
- Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
- Pharmacological action
- Unknown
- General Function
- Structural constituent of ribosome
- Specific Function
- Found on the solvent side of the large subunit.
- Gene Name
- rpmA
- Uniprot ID
- P60493
- Uniprot Name
- 50S ribosomal protein L27
- Molecular Weight
- 9508.0 Da
13. DetailsRetinal dehydrogenase 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Retinal dehydrogenase activity
- Specific Function
- Binds free retinal and cellular retinol-binding protein-bound retinal. Can convert/oxidize retinaldehyde to retinoic acid (By similarity).
- Gene Name
- ALDH1A1
- Uniprot ID
- P00352
- Uniprot Name
- Retinal dehydrogenase 1
- Molecular Weight
- 54861.44 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
14. DetailsOrganic hydroperoxide resistance protein
- Kind
- Protein
- Organism
- Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- ohr
- Uniprot ID
- Q9HZZ3
- Uniprot Name
- Organic hydroperoxide resistance protein
- Molecular Weight
- 14522.335 Da
15. Details3-carboxy-cis,cis-muconate cycloisomerase
- Kind
- Protein
- Organism
- Pseudomonas putida
- Pharmacological action
- Unknown
- General Function
- 3-carboxy-cis,cis-muconate cycloisomerase activity
- Specific Function
- Catalyzes an anti cycloisomerization.
- Gene Name
- pcaB
- Uniprot ID
- P32427
- Uniprot Name
- 3-carboxy-cis,cis-muconate cycloisomerase
- Molecular Weight
- 44675.755 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein serine/threonine kinase activity
- Specific Function
- Essential ion channel and serine/threonine-protein kinase. Divalent cation channel permeable to calcium and magnesium. Has a central role in magnesium ion homeostasis and in the regulation of anoxi...
- Gene Name
- TRPM7
- Uniprot ID
- Q96QT4
- Uniprot Name
- Transient receptor potential cation channel subfamily M member 7
- Molecular Weight
- 212695.37 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
17. DetailsUnsaturated glucuronyl hydrolase
- Kind
- Protein
- Organism
- Bacillus sp. (strain GL1)
- Pharmacological action
- Unknown
- General Function
- Hydrolase activity, acting on glycosyl bonds
- Specific Function
- Catalyzes the hydrolysis of oligosaccharides with unsaturated glucuronyl residues at the non-reducing terminal, to a sugar or an amino sugar, and an unsaturated D-glucuronic acid (GlcA), which is n...
- Gene Name
- ugl
- Uniprot ID
- Q9RC92
- Uniprot Name
- Unsaturated glucuronyl hydrolase
- Molecular Weight
- 42861.02 Da
18. DetailsCyclic pyranopterin monophosphate synthase
- Kind
- Protein
- Organism
- Staphylococcus aureus (strain MW2)
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Catalyzes, together with MoaC, the conversion of 5'-GTP to cyclic pyranopterin monophosphate (cPMP or molybdopterin precursor Z).
- Gene Name
- moaA
- Uniprot ID
- P65389
- Uniprot Name
- Cyclic pyranopterin monophosphate synthase
- Molecular Weight
- 39077.505 Da
19. DetailsC protein alpha-antigen
- Kind
- Protein
- Organism
- Streptococcus agalactiae serotype Ia (strain ATCC 27591 / A909 / CDC SS700)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- May play a role in both virulence and immunity.
- Gene Name
- bca
- Uniprot ID
- Q02192
- Uniprot Name
- C protein alpha-antigen
- Molecular Weight
- 108704.715 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Peptide-methionine (s)-s-oxide reductase activity
- Specific Function
- Has an important function as a repair enzyme for proteins that have been inactivated by oxidation. Catalyzes the reversible oxidation-reduction of methionine sulfoxide in proteins to methionine.
- Gene Name
- MSRA
- Uniprot ID
- Q9UJ68
- Uniprot Name
- Mitochondrial peptide methionine sulfoxide reductase
- Molecular Weight
- 26132.42 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
21. DetailsChaperone protein TorD
- Kind
- Protein
- Organism
- Shewanella massilia
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Involved in the biogenesis of TorA. Acts on TorA before the insertion of the molybdenum cofactor and, as a result, probably favors a conformation of the apoenzyme that is competent for acquiring th...
- Gene Name
- torD
- Uniprot ID
- O87949
- Uniprot Name
- Chaperone protein TorD
- Molecular Weight
- 23554.45 Da
22. DetailsAxin-1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ubiquitin protein ligase binding
- Specific Function
- Component of the beta-catenin destruction complex required for regulating CTNNB1 levels through phosphorylation and ubiquitination, and modulating Wnt-signaling. Controls dorsoventral patterning vi...
- Gene Name
- AXIN1
- Uniprot ID
- O15169
- Uniprot Name
- Axin-1
- Molecular Weight
- 95634.205 Da
23. DetailsPeptidyl-prolyl cis-trans isomerase B
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Unfolded protein binding
- Specific Function
- PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.
- Gene Name
- PPIB
- Uniprot ID
- P23284
- Uniprot Name
- Peptidyl-prolyl cis-trans isomerase B
- Molecular Weight
- 23742.405 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
24. DetailsAmylosucrase
- Kind
- Protein
- Organism
- Neisseria polysaccharea
- Pharmacological action
- Unknown
- General Function
- Cation binding
- Specific Function
- Catalyzes the synthesis of alpha-glucan from sucrose. Catalyzes, in addition, sucrose hydrolysis, maltose and maltotriose synthesis by successive transfers of the glucosyl moiety of sucrose onto th...
- Gene Name
- ams
- Uniprot ID
- Q9ZEU2
- Uniprot Name
- Amylosucrase
- Molecular Weight
- 72343.005 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52