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Chemical structure of YM17E

GC31443

YM17E

Also known as 1-cycloheptyl-1-[[3-[[cycloheptyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]methyl]phenyl]methyl]-3-[4-(dimethylamino)phenyl]urea

YM17E is an inhibitor of acyl CoA:cholesterol acyltransferase (ACAT), with IC50 of 44 nM in rabbit liver microsomes in vitro

ChemicalCAS124900-72-7MW652.91FormulaC40H56N6O2
CAS number
124900-72-7
Molecular weight
652.91
Formula
C40H56N6O2
Solubility
DMSO ： ≥ 125 mg/mL (191·45 mM)
InChIKey
LZQSLXDZJBXHRS-UHFFFAOYSA-N
Catalogue number
GC31443
Brand
GLPBIO
Computed properties PubChem CID 180289 · XLogP 8.2 · TPSA 71.2 Ų · H-bond donors 2
XLogP
8.2
TPSA
71.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
48

SMILES CN(C)C1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)CN(C3CCCCCC3)C(=O)NC4=CC=C(C=C4)N(C)C)C5CCCCCC5

Computed descriptors from PubChem (CID 180289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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