Lomitapide Mesylate - 10mM in DMSO , Microsomal triglyceride transfer protein inhibitor, CAS No.202914-84-9, Microsomal triglyceride transfer protein inhibitor

CAS: 202914-84-9 Cat. No.: L422469 Formula: C₄₀H₄₁F₆N₃O₅ Peso molecolare: 789.83 Numero EC: 692-734-9

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

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

Specifications

Sinonimi

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-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Microsomal triglyceride transfer protein inhibitor

Proprietà del prodotto

• ALogP: 7.377
• hba_count: 2
• Conteggio HBD: 2
• Legame rotabile: 12

Nomi e identificatori

• Sorrisi canonici: 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)
• Isomeri 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 molecolare: 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
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 126.6095236
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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