Implitapide - ≥99% , Microsomal triglyceride transfer protein inhibitor, CAS No.177469-96-4, Microsomal triglyceride transfer protein inhibitor

CAS: 177469-96-4 Cat. No.: I648268 Peso molecular: 531.69 PubChem CID: 5745206

GRADE & PURITY ≥99%

Synonyms

Implitapide [INN] | (2S)-2-cyclopentyl-2-(4-((2,4-dimethyl-9H-pyrido(2,3-b)indol-9-yl)methyl)phenyl)-N-((1S)-2-hydroxy-1-phenylethyl)ethanamide | SCHEMBL1650033 | BAY-13-9952 | Q27095549 | (2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)meth

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Implitapide (AEGR 427) is a microsomal triglyceride transfer protein ( MTP ) inhibitor.

In Vitro

Implitapide suppresses MTP activity using a recombinant human form complexed with protein disulphide isomerase (IC 50 =10 nM) and inhibit secretion of apoB-containing very low-density lipoprotein (VLDL)-like lipoproteins from a human hepatoma cell (HepG2) with an IC 50 value of 1.1 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Implitapide (3.2 mg/kg/d) significantly reduces the plasma lipid levels to nearly or below the chow diet (CD) level at 4 and 8 weeks of treatment (p<0.01). Implitapide (3.2 mg/kg/d) markedly suppresses lipid-stained lesions in the mice fed the western-type diet (WD). Implitapide (3.2 mg/kg/d) significantly decreases lesion area by 83% compared with that of the WD group (p<0.01). ApoE KO mice fed a WD containing Implitapide (1, 5, and 15 mg/kg/d) for 14 weeks have been shown to reduce significantly both plaque area (by 66, 78, and 93%, respectively) and lipid moieties within plaque (4.3, 2.6, and 0%, respectively, versus 9.5% in controls). Implitapide at a dosage of approximately 3.2 mg/kg/d significantly reduces the lipid-stained aortic lesions by 83% in apoE KO mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:MTP

Specifications

Sinónimos

Implitapide [INN] | (2S)-2-cyclopentyl-2-(4-((2, 4-dimethyl-9H-pyrido(2, 3-b)indol-9-yl)methyl)phenyl)-N-((1S)-2-hydroxy-1-phenylethyl)ethanamide | SCHEMBL1650033 | BAY-13-9952 | Q27095549 | (2S)-2-cyclopentyl-2-[3-[(2, 4-dimethylpyrido[2, 3-b]indol-9-yl)meth

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Implitapide (AEGR 427) is a microsomal triglyceride transfer protein ( MTP ) inhibitor.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

≥99%

Propiedades del producto

• ALogP: 7.3

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C
• IUPAC Name: (2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
• InChIKey: AMNXBQPRODZJQR-DITALETJSA-N
• INCHI: 1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1
• Isómeros SMILES: CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C
• PubChem CID: 5745206
• Peso molecular: 531.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha carbolines
• Alternative Parents: Phenylacetamides N-alkylindoles Pyrrolopyridines Indoles Methylpyridines Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-carboline - N-alkylindole - Phenylacetamide - Indole - Pyrrolopyridine - Methylpyridine - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Alcohol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole).
• External Descriptors: Not available

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: DMSO : 100 mg/mL (188.08 mM; Need ultrasonic)
• Peso molecular: 531.700 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 531.289 Da
• Monoisotopic Mass: 531.289 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 823.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 1