NAV

Methopterin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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
3D
Similar Structures
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
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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
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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
  1. 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]
ChemSpider
83888
ChEMBL
CHEMBL158990
ZINC
ZINC000008214609
PDBe Ligand
R6F
PDB Entries
8dai

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentAcute Lymphoblastic Leukemia (ALL) / Acute Undifferentiated Leukemia (AUL) / T-cell Childhood Acute Lymphoblastic Leukemia1
3Active Not RecruitingTreatmentAcute Lymphoblastic Leukemia (ALL) / Adult B Lymphoblastic Lymphoma / Ann Arbor Stage I B Lymphoblastic Lymphoma / Ann Arbor Stage II B Lymphoblastic Lymphoma / B-cell Childhood Acute Lymphoblastic Leukemia / Childhood B Acute Lymphoblastic Leukemia With t(9;22)(q34.1;q11.2); BCR-ABL1 / Childhood B Lymphoblastic Lymphoma / Down Syndrome (DS) / Hypodiploid B Acute Lymphoblastic Leukemia / Philadelphia Chromosome Positive (Ph+)1
3Active Not RecruitingTreatmentAcute Lymphoblastic Leukemia (ALL) / B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative1
3Active Not RecruitingTreatmentAcute Myeloid Leukemia1
3Active Not RecruitingTreatmentAnaplastic Medulloblastoma / Medulloblastomas / Supratentorial Embryonal Tumor, Not Otherwise Specified / Untreated Childhood Supratentorial Primitive Neuroectodermal Tumor1

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
PropertyValueSource
logP-0.28Chemaxon
pKa (Strongest Acidic)3.25Chemaxon
pKa (Strongest Basic)-0.2Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area200.2 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity115.68 m3·mol-1Chemaxon
Polarizability45.6 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009100000-9f797a51fb3e1d8b1ab0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ufr-0321900000-b70e1de96752d48de8df
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0109000000-82077050245e9c46105f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0902200000-2622fc144eb363be0f03
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0922000000-bd614c3267db471e49b1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w30-3813900000-5ffaf7b21a6b0de96687
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at February 24, 2021 18:53 / Updated at March 01, 2021 16:16