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 Peso molecular: 789.83 Número EC: 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

Descripción general

Information

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

Specifications

Sinónimos

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-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Microsomal triglyceride transfer protein inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 7.377
• hba_count: 2
• Recuento HBD: 2
• Enlace rotable: 12

Nombres e identificadores

• Pubchem Sid: 504766235
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766235
• Sonrisas canónicas: 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)
• Isómeros 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
• Peso molecular: 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
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (126.6 mM); Ethanol: 100 mg/mL (126.6 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 126.6095236
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 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