10-Deazaaminopterin
Basic information
- CAS
52454-37-2- Standard SMILES
Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
LGFLRHWJJKLPCC-ZDUSSCGKSA-N- Molecular formula
- C20H21N7O5
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.1604168
Names & identifiers
- Preferred name
- 10-Deazaaminopterin
- IUPAC
- (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
- English name
- 10-deazaaminopterin
- Molecular formula
- C20H21N7O5
- Molecular weight
- 439.42
Names & synonyms
10-Deazaaminopterin52454-37-210-Deazaminopterin10-Deaza-aminopterinPXJ16PPE04L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethyl)benzoyl)-NSC-311469RefChem:907895GNF-PF-173CHEMBL293263(4-(2-(2,4-diaminopteridin-6-yl)ethyl)benzoyl)-L-glutamic acid(2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Show more names
NSC311469Pratraxa Impurity PLQS-2Pralatrexate Impurity 10Pralatrexate Impurity PLQS-2N-[4-[2-(2,4-Diaminopteridin-6-yl)ethyl]benzoyl]-L-glutamic acidN-[4-[2-(2,4-Diaminopteridine-6-yl)ethyl]benzoyl]-L-glutamic acid
UNII-PXJ16PPE04NSC 31146910-DAMorb1987126SCHEMBL7081697SCHEMBL29430165BDBM50016461AKOS040746467
Database identifiers
- CAS
52454-37-2- PubChem CID
- 100516
- ChEMBL
CHEMBL293263- UNII
- PXJ16PPE04
- Nikkaji
- J362.080H
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 673
Physicochemical properties
- FDA UNII
- 16 PPE04 · PXJ16PPE04
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033)
Applications
Uses10-Deazaminopterin inhibits neutrophil chemotaxis and superoxide generation. Pralatrexate impurity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…