C55H74IN3O21S4
1368.4 g/mol
APIDanger
Calicheamicin gamma(1)I
CAS108212-75-5
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Calicheamicin gamma(1)I is an enediyne antitumor antibiotic active pharmaceutical ingredient originally isolated from the bacterium Micromonospora echinospora. Its structure features a complex polycyclic ring system with multiple ether linkages and halogen substituents, characteristic of this potent class of natural products.
active pharmaceutical ingredient in antitumor antibiotic manufacturingpharmaceutical intermediate for research and development
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 108212-75-5
Related Compounds
StrongStructure SimilarSimilarity 0.86
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Safety Reference
Danger
H302Harmful if swallowed
H341Suspected of causing genetic defects
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-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13E)-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
HXCHCVDVKSCDHU-PJKCJEBCSA-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(=C3/C4=C\CSSSC)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
Synonyms (7)
- Calicheamicin
- Calicheamicin I(3)1I
- Calichemicin gamma1
- calicheamicin gamma(1)I
- calicheamicin gamma1