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Chemical structure of Ecteinascidin 770

GC33156

Ecteinascidin 770

Also listed as Ecteinascidin 770 (Ecteinascidine 770)

Ecteinascidin 770 (Ecteinascidine 770) (ET-770) is a 1,2,3,4-tetrahydroisoquinoline alkaloid with potent anti-cancer activities; inhibits U373MG cells with an IC50 of 4·83 nM

ChemicalCAS114899-80-8MW770.85FormulaC40H42N4O10S
CAS number
114899-80-8
Molecular weight
770.85
Formula
C40H42N4O10S
Solubility
Soluble in DMSO
InChIKey
BGFXHQYUWCGGLL-QWIBJBKUSA-N
Catalogue number
GC33156
Brand
GLPBIO
Computed properties PubChem CID 10952807 · XLogP 3.7 · TPSA 198 Ų · H-bond donors 3
XLogP
3.7
TPSA
198 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
4
Heavy atoms
55

SMILES CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Computed descriptors from PubChem (CID 10952807), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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