ML 382 - ≥98%(HPLC) , CAS No.1646499-97-9

CAS: 1646499-97-9 Cat. No.: M288604 분자식: C₁₈H₂₀N₂O₄S 분자량: 360.43

GRADE & PURITY ≥98%(HPLC)

Synonyms

VU0485891 | 2-(사이클로프로판설폰아미도)-N-(2-에톡시페닐)벤즈아미드

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

ML382는 강력하고 선택적인 MrgX1 양성 알로스테릭 조절제입니다(EC50 : 190 nM)

Specifications

동의어

VU0485891 | 2-(사이클로프로판설폰아미도)-N-(2-에톡시페닐)벤즈아미드

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

선택적 MRGPRX1 양성 알로스테릭 조절제(EC50= 190 nM). 미스터X2, 미스터C11 및 기타 68개의 GPCR, 이온 채널 및 수송체 패널에 대해 미스터X1에 대한 선택성을 나타냅니다. MRGPRX1에서 BAM(8-22)의 효능을 7배 향상시킵니다.ML382는 양성 알로스테릭 m

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 528765504
• 정식 스마일: CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3CC3
• IUPAC Name: 2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
• InChIKey: RCSLEKLNDJJJLF-UHFFFAOYSA-N
• INCHI: 1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
• 이성체 SMILES: CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3CC3
• 분자량: 360.43
• Reaxy-Rn: 27868489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27868489&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Sulfanilides Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Organosulfonamides Organic sulfonamides Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Sulfanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Organic sulfonic acid amide - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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: 36.04, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.21, Max Conc. mM: 20 with gentle warming
• 분자량: 360.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 360.114 Da
• Monoisotopic Mass: 360.114 Da
• Topological Polar Surface Area: 92.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 556.000
• 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