Pralatrexate
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
Molecular Identity
Pralatrexate
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
PubChem CID: 148121
Pralatrexate is a pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma. It has a role as an antimetabolite, an antineoplastic agent and an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It is a N-acyl-L-glutamic acid, a member of pteridines and a terminal acetylenic compound.
2D Structure
Properties
C23H23N7O5
Molecular Formula
477.50
Molecular Weight
g/mol
477.1761
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
207
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
809
Complexity
SMILES
Canonical SMILES
SMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OIsomeric SMILES
SMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)OSynonyms(20)
Pralatrexate146464-95-1Folotyn10-Propargyl-10-deazaaminopterinpralatrexatoHSDB 7786N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acidpralatrexatumDTXSID3048578NSC-754230CHEBI:71223A8Q8I19Q20(2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acidDTXCID3028504
Data from PubChem (NCBI)
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