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Chemical structure of YM-53601

GC45174

YM-53601

Also known as 2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride

YM-53601 is a squalene synthase inhibitor (IC50s = 79 and 90 nM in HepG2 cells and rat liver microsomes, respectively)

ChemicalCAS182959-33-7MW372.9FormulaC21H21FN2O•HCl
CAS number
182959-33-7
Molecular weight
372.9
Formula
C21H21FN2O•HCl
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/ml,Ethanol： 2 mg/ml
InChIKey
JWXYVHMBPISIJQ-TVWXOORISA-N
Catalogue number
GC45174
Brand
GLPBIO
Computed properties PubChem CID 60196293 · TPSA 28.3 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
28.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

SMILES C1CN2CCC1/C(=C(/COC3=CC4=C(C=C3)C5=CC=CC=C5N4)\F)/C2.Cl

Computed descriptors from PubChem (CID 60196293), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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