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 Summenformel: C₄₀H₄₁F₆N₃O₅ Molekulargewicht: 789.83 EG-Nummer: 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

Übersicht

Information

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

Specifications

Synonyme

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-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Microsomal triglyceride transfer protein inhibitor

Produkteigenschaften

• ALogP: 7.377
• hba_count: 2
• HBD-Zahl: 2
• Rotationsfähige Bindung: 12

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere 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
• Molekulargewicht: 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
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 126.6095236
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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