Name: Phototrexate
Rating: 5 (10 reviews)

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HIT ID:HIT214324228
Cas No:2268033-83-4
常用名:Phototrexate
IUPAC:(2S)-2-({4-[(1E)-2-(2,4-diaminoquinazolin-6-yl)diazen-1-yl]phenyl}formamido)pentanedioic acid
IUPAC:(2S)-2-({4-[(1E)-2-(2,4-diaminoquinazolin-6-yl)diazen-1-yl]phenyl}formamido)pentanedioic acid
InChI key:IODLJULYGHWOLC-HIUCBWPRSA-N

分子式:C20H19N7O5
分子量:437.416
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Nc1nc(N)c2cc(ccc2n1)\N=N\c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES:Nc1nc(N)c2cc(ccc2n1)\N=N\c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

Phototrexate is a photoswitchable potent inhibitor of human dihydrofolate reductase (DHFR). Phototrexate is a photochromic analog of Methotrexate. Antifolate activity is switched on (cis-Phototrexate) by UVA (375 nm) light; it can be switched off (trans-Phototrexate) by blue or white light and by thermal relaxation in the dark.cis-Phototrexate (IC50 = 6 nM) significantly reduces the viability of HeLa cells compared withtrans-Phototrexate (IC50 = 34 μM).

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