Name: sulfo-SPDB-DM4
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214314844
Cas No:1626359-59-8
常用名:sulfo-SPDB-DM4
IUPAC:4-[(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)disulfanyl]-1-[(2,5-dioxopyrrolidin-1-yl)oxy]-1-oxobutane-2-sulfonic acid
IUPAC:4-[(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)disulfanyl]-1-[(2,5-dioxopyrrolidin-1-yl)oxy]-1-oxobutane-2-sulfonic acid
InChI key:ACJLJPQSHWOFQD-ALFBTUCRSA-N

分子式:C46H63ClN4O17S3
分子量:1075.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)ON1C(=O)CCC1=O)S(O)(=O)=O |c:17,t:19|
SMILES:[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)c1cc(C\C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)ON1C(=O)CCC1=O)S(O)(=O)=O |c:17,t:19|

Sulfo-SPDB-DM4 is a drug-linker conjugate designed for antibody-drug conjugates (ADCs) that employs the maytansine-based payload (DM4, an antitubulin agent) connected through the sulfo-SPDB linker.

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