Methopterin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Methopterin
- DrugBank Accession Number
- DB16620
- Background
Methopterin is thought to have effects on osteoclasts and to inhibit inflammatory bone destruction.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 455.431
Monoisotopic: 455.155331424 - Chemical Formula
- C20H21N7O6
- Synonyms
- 10-methylfolic acid
- 10-methylpteroylglutamic acid
- alpha-Methopterin
- Methopterine
- Methotrexate related compound C
- N10-methylfolic acid
- N10-methylpteroylglutamic acid
- External IDs
- NSC 107144
- NSC-107144
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Methopterin has been shown to inhibit the proliferation, activation, and bone resorption action of osteoclasts, and induce the apoptosis of osteoclasts, likely contributing to the ability of methopterin to inhibit inflammatory bone destruction.1
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9TJY624421
- CAS number
- 2410-93-7
- InChI Key
- HLIXOCXUWGDBNP-ZDUSSCGKSA-N
- InChI
- InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1
- IUPAC Name
- (2S)-2-[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
- SMILES
- CN(CC1=CN=C2N=C(N)NC(=O)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
References
- General References
- Li P, Wang L, Wang WJ: [Effects of methopterin on osteoclasts and study of its mechanism of action]. Yao Xue Xue Bao. 2008 Oct;43(10):1025-31. [Article]
- External Links
- ChemSpider
- 83888
- ChEMBL
- CHEMBL158990
- ZINC
- ZINC000008214609
- PDBe Ligand
- R6F
- PDB Entries
- 8dai
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP -0.28 Chemaxon pKa (Strongest Acidic) 3.25 Chemaxon pKa (Strongest Basic) -0.2 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 200.2 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 115.68 m3·mol-1 Chemaxon Polarizability 45.6 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0009100000-9f797a51fb3e1d8b1ab0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0ufr-0321900000-b70e1de96752d48de8df Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0109000000-82077050245e9c46105f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0902200000-2622fc144eb363be0f03 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0922000000-bd614c3267db471e49b1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0w30-3813900000-5ffaf7b21a6b0de96687 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at February 24, 2021 18:53 / Updated at March 01, 2021 16:16