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Chemical structure of CMLD012612

GC62698

CMLD012612

Also known as (1R,9R,10S,11R,12R)-12-hydroxy-N,3,5-trimethoxy-9-(4-methoxyphenyl)-N,14-dimethyl-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5,14-tetraene-11-carboxamide

CMLD012612 is an amidino-rocaglate containing a hydroxamate group and is a potent eukaryotic initiation factor 4A (eIF4A) inhibitor· CMLD012612 inhibits cell translation and is cytotoxic to NIH/3T3 cells with an IC50 value of 2 nM· CMLD012612 inhibits eukaryotic translation initiation by modifying the behavior of the RNA helicase (eIF4A) and possesses potent anti-neoplastic activity

ChemicalCAS2368900-35-8MW559.61FormulaC31H33N3O7
CAS number
2368900-35-8
Molecular weight
559.61
Formula
C31H33N3O7
InChIKey
GEGBQVSIWBLDJE-GRNIXUCMSA-N
Catalogue number
GC62698
Brand
GLPBIO
Computed properties PubChem CID 145712379 · XLogP 2.6 · TPSA 111 Ų · H-bond donors 2
XLogP
2.6
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
41

SMILES CC1=N[C@]23C4=C(C=C(C=C4OC)OC)O[C@]2([C@@H]([C@H]([C@@]3(N1)O)C(=O)N(C)OC)C5=CC=CC=C5)C6=CC=C(C=C6)OC

Computed descriptors from PubChem (CID 145712379), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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