NAV

Methopterin

This drug entry is astuband 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

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

一般引用
  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

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Active Not Recruiting Treatment Acute Lymphoblastic Leukaemias (ALL)/Acute Undifferentiated Leukemia (AUL)/T-cell Childhood Acute Lymphoblastic Leukemia 1
3 Active Not Recruiting Treatment Acute Lymphoblastic Leukaemias (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
3 Active Not Recruiting Treatment Acute Lymphoblastic Leukaemias (ALL)/B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative 1
3 Active Not Recruiting Treatment Ann Arbor Stage II Adult Lymphoblastic Lymphoma/Ann Arbor Stage II Childhood Lymphoblastic Lymphoma/Ann Arbor Stage III Adult Lymphoblastic Lymphoma/Ann Arbor Stage III Childhood Lymphoblastic Lymphoma/Ann Arbor Stage IV Adult Lymphoblastic Lymphoma/Ann Arbor Stage IV Childhood Lymphoblastic Lymphoma/T-cell Acute Lymphoblastic Leukemia/T-cell Childhood Acute Lymphoblastic Leukemia 1
3 Active Not Recruiting Treatment B Acute Lymphoblastic Leukemia With BCR-ABL1-Like Features/B-cell Acute Lymphoblastic Leukemia/Central Nervous System Leukemia/Testicular Leukemia 1
3 Active Not Recruiting Treatment Childhood Atypical Teratoid/Rhabdoid Tumor 1
3 Active Not Recruiting Treatment Recurrent B Acute Lymphoblastic Leukemia 1
3 Active Not Recruiting Treatment T-cell Acute Lymphoblastic Leukemia/T-cell Lymphoblastic Lymphoma 1
3 Completed Treatment Acute Lymphoblastic Leukaemias (ALL)/B-cell Adult Acute Lymphoblastic Leukemia (ALL)/B-cell Childhood Acute Lymphoblastic Leukemia 2
3 Completed Treatment Acute Lymphoblastic Leukaemias (ALL)/B-cell Childhood Acute Lymphoblastic Leukemia 1

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
医学博士DR-like Rule Yes Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

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