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

CAS: 177469-96-4 Cat. No.: I648268 分子式: C₃₅H₃₇N₃O₂ 分子量: 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

概要

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

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Microsomal triglyceride transfer protein inhibitor

純度

≥99%

製品の性質

ALogP

7.3

名前と識別子

カノニカル・スマイル

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

異性体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

分子量

531.69

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (188.08 mM; Need ultrasonic)
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 177469-96-4, the molecular formula is C35H37N3O2, and the molecular weight is 531.69 g/mol. InChIKey AMNXBQPRODZJQR-DITALETJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.