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Chemical structure of Calicheamicin

GC19086

Calicheamicin

Also known as 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

Calicheamicin is a cytotoxic agent that causes double-strand DNA breaks

ChemicalCAS108212-75-5MW1368.35FormulaC55H74IN3O21S4
CAS number
108212-75-5
Molecular weight
1368.35
Formula
C55H74IN3O21S4
Solubility
DMSO ： ≥ 100 mg/mL (73·08 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
HXCHCVDVKSCDHU-PJKCJEBCSA-N
Catalogue number
GC19086
Brand
GLPBIO
Computed properties PubChem CID 10953353 · XLogP 2 · TPSA 410 Ų · H-bond donors 8
XLogP
2
TPSA
410 Ų
H-bond donors
8
H-bond acceptors
27
Rotatable bonds
24
Heavy atoms
84

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

Computed descriptors from PubChem (CID 10953353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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