Lomitapide Mesylate - ≥98% , Microsomal triglyceride transfer protein inhibitor, CAS No.202914-84-9, Microsomal triglyceride transfer protein inhibitor

CAS: 202914-84-9 Cat. No.: L413795 Molecular Weight: 789.83 EC Number: 692-734-9

GRADE & PURITY ≥98%

Synonyms

AC-33863 | lomitapide methanesulfonate | CHEBI:72299 | N-(2,2,2-trifluoroethyl)-9-[4-(4-{2-[4-(trifluoromethyl)phenyl]benzamido}piperidin-1-yl)butyl]-9H-fluorene-9-carboxamide; methanesulfonic acid | 1-Boc-4-piperidylacetic acid; | CIA91484 | (S)-N-BOC-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Lomitapide Mesylate Lomitapide Mesylate is a potent microsomal triglyceride transfer protein (MTP) inhibitor, used in the treatment of familial hypercholesterolemia.

Specifications

Synonyms

AC-33863 | lomitapide methanesulfonate | CHEBI:72299 | N-(2, 2, 2-trifluoroethyl)-9-[4-(4-{2-[4-(trifluoromethyl)phenyl]benzamido}piperidin-1-yl)butyl]-9H-fluorene-9-carboxamide; methanesulfonic acid | 1-Boc-4-piperidylacetic acid; | CIA91484 | (S)-N-BOC-2-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Lomitapide Mesylate is a potent microsomal triglyceride transfer protein (MTP) inhibitor, used in the treatment of familial hypercholesterolemia.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Microsomal triglyceride transfer protein inhibitor

Purity

≥98%

Product Properties

• ALogP: 7.377
• hba_count: 2
• HBD Count: 2
• Rotatable Bond: 12

Names and Identifiers

• Pubchem Sid: 504766235
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766235
• Canonical Smiles: CS(=O)(=O)O.C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F
• IUPAC Name: methanesulfonic acid;N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
• InChIKey: QKVKOFVWUHNEBX-UHFFFAOYSA-N
• INCHI: 1S/C39H37F6N3O2.CH4O3S/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;1-5(2,3)4/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H3,(H,2,3,4)
• Isomeric SMILES: CS(=O)(=O)O.C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F
• Molecular Weight: 789.83
• Reaxy-Rn: 14506420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14506420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Biphenyls and derivatives Trifluoromethylbenzenes Benzamides Benzoyl derivatives Aralkylamines Piperidines Fatty amides Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Alkyl fluorides Organic oxides Organofluorides
• Molecular Framework: Not available
• Substituents: Fluorene - Biphenyl - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Piperidine - Fatty acyl - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: methanesulfonate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (126.6 mM); Ethanol: 100 mg/mL (126.6 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 126.6095236
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 789.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 789.267 Da
• Monoisotopic Mass: 789.267 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3