C57H76IN3O22S4
1410.4 g/mol
Pharmaceutical IntermediateDanger
N-Acetyl calicheamicin
CAS108212-76-6
Category
Pharmaceutical Intermediate
Compound Class
Natural Product
Primary Use
Pharmaceutical Intermediate
N-Acetyl calicheamicin is a derivative of the calicheamicin class of enediyne antitumor antibiotics, originally isolated from the bacterium Micromonospora echinospora. It serves as a pharmaceutical intermediate, specifically for use in the manufacturing of antibody-drug conjugates.
pharmaceutical intermediate for antibody-drug conjugate manufacturing
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 108212-76-6
Related Compounds
StrongStructure SimilarSimilarity 0.86
Calicheamicin γ1i
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Safety Reference
Danger
H300Fatal if swallowed
H302Harmful if swallowed
H310Fatal in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H330Fatal if inhaled
H335May cause respiratory irritation
H341Suspected of causing genetic defects
H351Suspected of causing cancer
H361Suspected of damaging fertility or the unborn child
H372Causes damage to organs through prolonged or repeated exposure
Identifiers
IUPAC Name
S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-[acetyl(ethyl)amino]-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate
InChIKey
WPDOZYZAJKUVRZ-NRYSMURASA-N
SMILES
CCN([C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]4(CC(=O)C(=C3C4=CCSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC)O)I)C)O)O)C(=O)C
Synonyms (5)
- N-Acetyl LL-E33288gamma1I
- N-Acetyl calicheamicin
- N-Acetyl-gamma-calicheamicin
- N-Acetylcalicheamicin gamma