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Screening compounds

Lapaquistat

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

CAS 189059-71-0Formula C31H39ClN2O8Molar mass 603.11 g/mol
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Lapaquistat chemical structure, C31H39ClN2O8, CAS 189059-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
189059-71-0
Formula
C31H39ClN2O8
Molar mass
603.11 g/mol
HS code
293499
Category
Screening compounds

What is Lapaquistat?

Plain description, key identifiers and synonyms

Lapaquistat is an inhibitor of squalene synthase, an enzyme downstream of HMG-CoA reductase in the synthesis of cholesterol. Squalene synthase catalyzes the dimerization of farnesyl-pyrophosphate to squalene, the first step in the cholesterol biosynthetic pathway that is solely committed to the production of cholesterol. Development of this agent was haulted do to potential hepatic toxicity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
CAS number
189059-71-0
Molecular formula
C31H39ClN2O8
UNII
PEZ79BV72X
InChIKey
HDGUKVZPMPJBFK-LEAFIULHSA-N
InChI
InChI=1S/C31H39ClN2O8/c1-31(2,18-35)17-34-23-9-8-20(32)15-22(23)28(21-6-5-7-24(40-3)29(21)41-4)42-25(30(34)39)16-26(36)33-12-10-19(11-13-33)14-27(37)38/h5-9,15,19,25,28,35H,10-14,16-18H2,1-4H3,(H,37,38)/t25-,28-/m1/s1
Canonical SMILES
COc1cccc(C2OC(CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC
Isomeric SMILES
CC(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)CO

Synonyms

  • 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
  • 4-Piperidineacetic acid, 1-(((3R,5S)-1-(3-(hydroxy)-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-2-oxo-4,1-benzoxazepin-3-yl)acetyl)-
  • Lapaquistat - API Standards
  • 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-d
  • (1-(2-(1-(2-carboxyoxy-1,1-dimethylethyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydrobenzo(e)(1,4)oxazepin-3-yl)acetyl)piperidin-4-yl)acetic acid
  • 4-Piperidineacetic acid,1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
603.11 g/molcalc.
Exact mass
602.2395 Dacalc.
LogP (octanol/water)
4.3calc.
Topological polar surface area
125.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1Nc2ccccc2C(c2ccccc2)OC1CC(=O)N1CCCCC1

O=C1Nc2ccccc2C(c2ccccc2)OC1CC(=O)N1CCCCC1

4 rings, 27 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Lapaquistat suppliers

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Lapaquistat price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lapaquistat is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Lapaquistat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lapaquistat, based on the data on this page

What is Lapaquistat?

Lapaquistat is an inhibitor of squalene synthase, an enzyme downstream of HMG-CoA reductase in the synthesis of cholesterol.

What is the CAS number of Lapaquistat?

The CAS registry number of Lapaquistat is 189059-71-0.

What is the molecular formula and weight of Lapaquistat?

The molecular formula of Lapaquistat is C31H39ClN2O8 and its molar mass is 603.11 g/mol.

What is Lapaquistat used for?

Known uses and roles of Lapaquistat include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Lapaquistat hazardous?

No GHS hazard classification for Lapaquistat is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Lapaquistat?

Lapaquistat is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lapaquistat?

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What is the price of Lapaquistat?

Suppliers quote Lapaquistat on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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