RH-1
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Identification
- Generic Name
- RH-1
- DrugBank Accession Number
- DB04090
- Background
RH-1 has been used in trials studying the treatment of Advanced Solid Tumors and Non-Hodgkin's Lymphoma.
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 234.2512
Monoisotopic: 234.100442324 - Chemical Formula
- C12H14N2O3
- Synonyms
- 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-
- External IDs
- NSC-697726
- RH 1
- RH-1
- RH1
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UNAD(P)H dehydrogenase [quinone] 1 Not Available Humans - 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 p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbonyl compounds
- Direct Parent
- P-benzoquinones
- Alternative Parents
- Vinylogous amides / N-vinylaziridines / Trialkylamines / Enamines / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Amine / Azacycle / Aziridine / Enamine / Hydrocarbon derivative / N-vinylaziridine / Organic nitrogen compound / Organic oxide
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IJ5CEP760Y
- CAS number
- 221635-42-3
- InChI Key
- JKDLOGLNPDVUCX-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3
- IUPAC Name
- 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione
- SMILES
- CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O
References
- General References
- Tudor G, Alley M, Nelson CM, Huang R, Covell DG, Gutierrez P, Sausville EA: Cytotoxicity of RH1: NAD(P)H:quinone acceptor oxidoreductase (NQO1)-independent oxidative stress and apoptosis induction. Anticancer Drugs. 2005 Apr;16(4):381-91. [Article]
- External Links
- PubChem Compound
- 394347
- PubChem Substance
- 46504603
- ChemSpider
- 349539
- ChEMBL
- CHEMBL1235676
- PDBe Ligand
- RH1
- PDB Entries
- 1h66
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 44.2 mg/mL ALOGPS logP 0.22 ALOGPS logP -0.49 Chemaxon logS -0.72 ALOGPS pKa (Strongest Acidic) 14.87 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.39 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 64.97 m3·mol-1 Chemaxon Polarizability 23.7 Å3 Chemaxon Number of Rings 3 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
Property Value Probability Human Intestinal Absorption + 0.9918 Blood Brain Barrier - 0.6136 Caco-2 permeable - 0.5275 P-glycoprotein substrate Substrate 0.5517 P-glycoprotein inhibitor I Non-inhibitor 0.5865 P-glycoprotein inhibitor II Inhibitor 0.5726 Renal organic cation transporter Non-inhibitor 0.7658 CYP450 2C9 substrate Non-substrate 0.74 CYP450 2D6 substrate Non-substrate 0.803 CYP450 3A4 substrate Non-substrate 0.6656 CYP450 1A2 substrate Non-inhibitor 0.6781 CYP450 2C9 inhibitor Non-inhibitor 0.7866 CYP450 2D6 inhibitor Non-inhibitor 0.8647 CYP450 2C19 inhibitor Non-inhibitor 0.7733 CYP450 3A4 inhibitor Non-inhibitor 0.8756 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9024 Ames test AMES toxic 0.596 Carcinogenicity Non-carcinogens 0.8815 Biodegradation Not ready biodegradable 0.7613 Rat acute toxicity 2.5956 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.601 hERG inhibition (predictor II) Non-inhibitor 0.8841
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets

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1. DetailsNAD(P)H dehydrogenase [quinone] 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Superoxide dismutase activity
- Specific Function
- The enzyme apparently serves as a quinone reductase in connection with conjugation reactions of hydroquinons involved in detoxification pathways as well as in biosynthetic processes such as the vit...
- Gene Name
- NQO1
- Uniprot ID
- P15559
- Uniprot Name
- NAD(P)H dehydrogenase [quinone] 1
- Molecular Weight
- 30867.405 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52