Name: 5,6,7,8-Tetrahydro-8-deazahomofolic acid
Rating: 5 (10 reviews)

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HIT ID:HIT212710651
Cas No:111113-75-8
常用名:5,6,7,8-Tetrahydro-8-deazahomofolic acid
常用名:5,6,7,8-Tetrahydro-8-deazahomofolic acid
别名:5,6,7,8-Tdfa
IUPAC:(2S)-2-{[4-({2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,2-d]pyrimidin-6-yl]ethyl}amino)phenyl]formamido}pentanedioic acid
IUPAC:(2S)-2-{[4-({2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,2-d]pyrimidin-6-yl]ethyl}amino)phenyl]formamido}pentanedioic acid
InChI key:KWOGIKPULGQYDN-HIFRSBDPSA-N

分子式:C21H26N6O6
分子量:458.475
氢键供体数 (HBD):7
氢键受体数 (HBA):11
LogP:-1.9272383
SMILES:Nc1nc(=O)c2N[C@@H](CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2[nH]1
SMILES:Nc1nc(=O)c2N[C@@H](CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2[nH]1

5,6,7,8-Tetrahydro-8-deazahomofolic acid is a potential thymidylate synthase (TS) inhibitor and other folate related enzymes inhibitor.

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