Name: ONX 0801 trisodium
Rating: 4 (6 reviews)

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HIT ID:HIT218677297
Cas No:
Common Name:ONX 0801 trisodium
alias:Idetrexedtrisodium, CB300945trisodium, BGC 945 trisodium
alias:Idetrexedtrisodium, CB300945trisodium, BGC 945 trisodium
IUPAC:trisodium (2R)-2-[(4S)-4-carboxylato-4-[(4-{[(6S)-2-(hydroxymethyl)-4-oxo-1H,4H,6H,7H,8H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}phenyl)formamido]butanamido]pentanedioate
IUPAC:trisodium (2R)-2-[(4S)-4-carboxylato-4-[(4-{[(6S)-2-(hydroxymethyl)-4-oxo-1H,4H,6H,7H,8H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}phenyl)formamido]butanamido]pentanedioate
InChI key:JMUBAMVCKZFETQ-GVNLSHJKSA-K

Molecular Formula:C32H30N5Na3O10
Molecular Weight:713.586
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].OCc1nc(=O)c2cc3[C@H](CCc3cc2[nH]1)N(CC#C)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC([O-])=O)C([O-])=O)C([O-])=O
SMILES:[Na+].[Na+].[Na+].OCc1nc(=O)c2cc3[C@H](CCc3cc2[nH]1)N(CC#C)c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC([O-])=O)C([O-])=O)C([O-])=O

ONX 0801 (BGC 945) trisodium is a targeted thymidylate synthase (TS) inhibitor specifically designed to act against tumors overexpressing the [α-folate receptor].

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