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Chemical structure of Lapaquistat acetate

GC38807

Lapaquistat acetate

Also known as 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid

Lapaquistat acetate (TAK-475) is a squalene synthase inhibitor, blocking the conversion of farnesyl diphosphate (FPP) to squalene in the cholesterol biosynthesis pathway

ChemicalCAS189060-13-7MW645.14FormulaC33H41ClN2O9
CAS number
189060-13-7
Molecular weight
645.14
Formula
C33H41ClN2O9
Solubility
DMSO: 46 mg/mL (71·30 mM)
InChIKey
CMLUGNQVANVZHY-POURPWNDSA-N
Catalogue number
GC38807
Brand
GLPBIO
Computed properties PubChem CID 9874248 · XLogP 3.8 · TPSA 132 Ų · H-bond donors 1
XLogP
3.8
TPSA
132 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
45

SMILES CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC

Computed descriptors from PubChem (CID 9874248), 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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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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