Name: DM4-SMCC
Rating: 5 (10 reviews)

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HIT ID:HIT213841060
Cas No:1228105-52-9
常用名:DM4-SMCC
IUPAC:2,5-dioxopyrrolidin-1-yl 4-({3-[(4-{[(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-10,12,14(26),16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}-2-methylbutan-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}methyl)cyclohexane-1-carboxylate
IUPAC:2,5-dioxopyrrolidin-1-yl 4-({3-[(4-{[(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-10,12,14(26),16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}-2-methylbutan-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}methyl)cyclohexane-1-carboxylate
InChI key:VYNFFBGYRBMGDS-NLFQNZGQSA-N

分子式:C54H72ClN5O16S
分子量:1114.7
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)CCC(C)(C)SC1CC(=O)N(CC3CCC(CC3)C(=O)ON3C(=O)CCC3=O)C1=O)[C@]1(C)O[C@H]1[C@@H]2C |t:14,16|
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)CCC(C)(C)SC1CC(=O)N(CC3CCC(CC3)C(=O)ON3C(=O)CCC3=O)C1=O)[C@]1(C)O[C@H]1[C@@H]2C |t:14,16|

DM4-SMCC, a non-cleavable drug-linker conjugate for antibody-drug conjugates (ADC), leverages the antitumor efficacy of DM4 (an antitubulin agent) through attachment with the SMCC linker, exhibiting antitumor activity[1].

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