SR 16832 - ≥98%(HPLC) , CAS No.2088135-12-8

CAS: 2088135-12-8 Cat. No.: S288882 분자식: C₁₇H₁₂ClN₃O₄ 분자량: 357.75 PubChem CID: 134160241

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Chloro-N-(6-methoxy-4-quinolinyl)-5-nitrobenzamide | 2-Chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Application

SR 16832 is a dual site PPARγ inhibitor. Acts at orthosteric and allosteric sites in the ligand binding domain. Inhibits binding of endogenous ligands and transcriptional activity of PPARγ, more effectively than the orthosteric covalent antagonists.

Specifications

동의어

2-Chloro-N-(6-methoxy-4-quinolinyl)-5-nitrobenzamide | 2-Chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Dual site PPARγ inhibitor. Acts at orthosteric and allosteric sites in the ligand binding domain. Inhibits binding of endogenous ligands and transcriptional activity of PPARγ, more effectively than the orthosteric covalent antagonistsGW 9662 andT 0070907.

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 504773150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773150
• 정식 스마일: COC1=CC2=C(C=CN=C2C=C1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
• IUPAC Name: 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
• InChIKey: CVTZAGCRUDYUGB-UHFFFAOYSA-N
• INCHI: 1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)
• 이성체 SMILES: COC1=CC2=C(C=CN=C2C=C1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
• PubChem CID: 134160241
• 분자량: 357.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Quinoline - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Nitroaromatic compound - Benzoyl - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 17.89, Max Conc. mM: 50
• 분자량: 357.700 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 357.052 Da
• Monoisotopic Mass: 357.052 Da
• Topological Polar Surface Area: 97.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 501.000
• 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: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 2088135-12-8, the molecular formula is C17H12ClN3O4, and the molecular weight is 357.75 g/mol. InChIKey CVTZAGCRUDYUGB-UHFFFAOYSA-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.