Basic information
- CAS
52454-37-2- Standard SMILES
Nc1nc(N)c2nc(CCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
LGFLRHWJJKLPCC-UHFFFAOYSA-N- Molecular formula
- C20H21N7O5
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.1604168
Names & identifiers
- Preferred name
- L-Glutamic acid,4-diamino-6-pteridinyl)ethyl]benzoyl]-
- IUPAC
- 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
CHEMBL11191SCHEMBL15700766BDBM50010932NSC311469L-Glutamic acid,4-diamino-6-pteridinyl)ethyl]benzoyl]-2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-DAM)(10-DA, 10-Deazaminopterin)2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acidNSC 311469NSC-31146910-Deazaminopterin10-deazaaminopterinPratraxa Impurity PLQS-2
Show more names
Pralatrexate 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
Database identifiers
- CAS
52454-37-2- PubChem CID
- 329367
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
Applications
Uses10-Deazaminopterin inhibits neutrophil chemotaxis and superoxide generation. Pralatrexate impurity.
Suppliers12 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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