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Home/Compounds/Pharmaceutical Intermediate/DM1-SMCC?
C51H66ClN5O16S
1072.6 g/mol
Pharmaceutical Intermediate

DM1-SMCC?

CAS1228105-51-8
Category
Pharmaceutical Intermediate
Compound Class
Amide
Primary Use
Pharmaceutical Intermediate

This compound is a pharmaceutical intermediate used as an antibody-drug conjugate linker-drug payload, specifically designed for the conjugation of the cytotoxic agent DM1 to a monoclonal antibody. It corresponds to the drug-linker component of trastuzumab emtansine (Kadcyla), which enables targeted delivery of the cytotoxic agent to HER2-positive cancer cells.

Antibody-drug conjugate linker-drug payloadPharmaceutical intermediate for targeted cancer therapy research

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.87

(2,5-dioxopyrrolidin-1-yl) 4-[[3-[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

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Identifiers
IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 4-[[3-[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

InChIKey

IADUWZMNTKHTIN-MLSWMBHTSA-N

SMILES

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)ON7C(=O)CCC7=O)C)\C)OC)(NC(=O)O2)O

Synonyms (4)
  • DM1-SMCC?
  • SMCC-DM1; DM1-SMCC