C35H48ClN3O10S
738.3 g/mol
APIDanger
Mertansine
CAS139504-50-0
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Mertansine, also known as DM1, is a thiol-containing maytansinoid used as a payload in antibody-drug conjugates (ADCs), where it is attached to a monoclonal antibody via a linker for targeted delivery.
pharmaceutical intermediate for ADC manufacturingresearch compound for targeted cancer therapy studies
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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CAS 139504-50-0
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StrongStructure SimilarSimilarity 0.91
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StrongStructure SimilarSimilarity 0.85
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Safety Reference
Danger
H300Fatal if swallowed
H310Fatal in contact with skin
H314Causes severe skin burns and eye damage
H340May cause genetic defects
H341Suspected of causing genetic defects
H350May cause cancer
H360May damage fertility or the unborn child
H370Causes damage to organs
H372Causes damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
[(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] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
InChIKey
ANZJBCHSOXCCRQ-FKUXLPTCSA-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)CCS)C)\C)OC)(NC(=O)O2)O
Synonyms (13)
- DM 1
- DM1 [Maytansinoid]
- Maytansinoid DM 1
- Mertansine
- Mertansine (DM1 Compound)
- Mertansine (DM1)
- Mertasine