SMCC-DM1 | DM1-SMCC | CAS 1228105-51-8

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HIT ID:HIT213840415
Cas No:1228105-51-8
常用名:SMCC-DM1
别名:DM1-SMCC
IUPAC:2,5-dioxopyrrolidin-1-yl 4-({3-[(2-{[(2S)-1-{[(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}methyl)cyclohexane-1-carboxylate
IUPAC:2,5-dioxopyrrolidin-1-yl 4-({3-[(2-{[(2S)-1-{[(1S,2R,3S,5S,6S,16Z,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}methyl)cyclohexane-1-carboxylate
InChI key:IADUWZMNTKHTIN-GRSBAAFESA-N

分子式:C51H66ClN5O16S
分子量:1072.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)/Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC3CCC(CC3)C(=O)ON3C(=O)CCC3=O)C1=O)[C@]1(C)O[C@H]1[C@@H]2C |t:13,15|
SMILES:[H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)/Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSC1CC(=O)N(CC3CCC(CC3)C(=O)ON3C(=O)CCC3=O)C1=O)[C@]1(C)O[C@H]1[C@@H]2C |t:13,15|

SMCC-DM1 (GMP)是 SMCC-DM1 的 GMP 级别试剂。SMCC-DM1 是一种药物-接头偶联物，由有效的微管破坏剂 DM1 和接头 SMCC 组成，用于制备抗体药物偶联物。

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