Name: Talaporfin free acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212718392
Cas No:110230-98-3
常用名:Talaporfin free acid
别名:Talaporfin, NPe6 free acid, Monoaspartyl chlorin, Aspartyl chlorin
别名:Talaporfin, NPe6 free acid, Monoaspartyl chlorin, Aspartyl chlorin
IUPAC:(2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioic acid
IUPAC:(2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioic acid
InChI key:VSEIDZLLWQQJGK-WSUYNKMOSA-N

分子式:C38H41N5O9
分子量:711.772
氢键供体数 (HBD):7
氢键受体数 (HBA):11
LogP:2.8099043
SMILES:CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c4[nH]c(cc1n2)c(C)c4C(O)=O)c(C)c3C=C
SMILES:CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c(CC(=O)N[C@@H](CC(O)=O)C(O)=O)c4[nH]c(cc1n2)c(C)c4C(O)=O)c(C)c3C=C

Talaporfin, an effective tumor localizer, can produce the selective degradation of tumor tissue following light exposure.

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