Description:
Pralatrexate is an antifolate, and structurally a folate analog. Its IC50 is < 300 nM in some cell lines.
- Molecular Weight: 477.47
- Molecular Formula: C23H23N7O5
Purity: >98%
Canonical 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)O
InChI:
InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
InChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-N
- Solubility: Practically insoluble in shloroform and ethanol
- Appearance: Off-white to yellow solid
- Application: Aminopterin/ analogs & derivatives; folic acid antagonists
Synonyms:
Pralatrexate;Folotyn; 10-Propargyl-10-deazaaminopterin; HSDB 7786; pralatrexato; pralatrexatum; PDX; CHEBI: 71223; NSC-754230; UNII-A8Q8I19Q20; Pralatrexate(Folotyn); DTXSID3048578; A8Q8I19Q20; (2S)-2-(4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzamido)pentanedioic acid; N-(4-(1-((2,4-Diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-L-glutamic acid; L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-; DTXCID3028504; 146464-95-1 (racemic); NSC754230; NSC 754230; (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid; NCGC00242596-01; (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl}amino)pentanedioic acid
More details are to be found on supplier website
