Name: Dimethyl-SGD-1882
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667097
Cas No:3026416-27-0
常用名:Dimethyl-SGD-1882
别名:Dimethyl-PBD dimer
IUPAC:(7R)-5-(4-aminophenyl)-13-methoxy-12-(3-{[(7R)-13-methoxy-5-(4-methoxyphenyl)-7-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}propoxy)-7-methyl-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-2-one
IUPAC:(7R)-5-(4-aminophenyl)-13-methoxy-12-(3-{[(7R)-13-methoxy-5-(4-methoxyphenyl)-7-methyl-2-oxo-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-12-yl]oxy}propoxy)-7-methyl-3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),4,8,10,12-pentaen-2-one
InChI key:MKHWXCZGNPQRBL-NDOUMJCMSA-N

分子式:C44H43N5O7
分子量:753.856
氢键供体数 (HBD):1
氢键受体数 (HBA):10
LogP:4.986183
SMILES:COc1ccc(cc1)C1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5N=C[C@@]6(C)CC(=CN6C(=O)c5cc4OC)c4ccc(N)cc4)cc3N=C[C@@]2(C)C1 |c:28,33,57,t:9|
SMILES:COc1ccc(cc1)C1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5N=C[C@@]6(C)CC(=CN6C(=O)c5cc4OC)c4ccc(N)cc4)cc3N=C[C@@]2(C)C1 |c:28,33,57,t:9|

Dimethyl-SGD-1882 (Dimethyl-PBD dimer) is a highly efficient DNA alkylating agent used as an antibody-drug conjugate (ADC) cytotoxin, inhibiting DNA replication.

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