Name: ML161 - ≥98% , CAS No.423735-93-7
SKU: M129427
Availability: InStock

ML161 - ≥98% , CAS No.423735-93-7

CAS: 423735-93-7 Cat. No.: M129427 분자식: C₁₇H₁₇BrN₂O₂ 분자량: 361.23 EC 번호: 803-969-5

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ML161 - ≥98% CAS No(423735-93-7) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥98%

Synonyms

Cambridge id 5946339 | SR-01000224080 | BRD-K59036917-001-07-6 | MLS002699906 | NCGC00371123-09 | AG-670/40910903 | 2-BROMO-N-(3-BUTANAMIDOPHENYL)BENZAMIDE | 2-bromo-N-[3-(butanoylamino)phenyl]benzamide | C17H17BrN2O2 | ML161 | SW219764-1 | ML 161 | SR-01

Storage

Store at 2-8°C

Shipped In

Wet ice

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

ML-161 is an allosteric inhibitor of PAR1 with IC50 of 0.26 μM.

Specifications

동의어

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Inhibitor of protease-activated receptor 1 (PAR1)-mediated platelet activation (IC50= 0.26μM for the inhibition of platelet P-selectin expression on human platelets). Thought to act allosterically. Also inhibits thrombin-induced platelet activation.

보관 조건

Store at 2-8°C

배송

Wet ice

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid	508810710
정식 스마일	CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br
IUPAC Name	2-bromo-N-[3-(butanoylamino)phenyl]benzamide
InChIKey	DFOVLSMXPWPCFH-UHFFFAOYSA-N
INCHI	1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
이성체 SMILES	CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br
WGK 독일	3
분자량	361.23
Reaxy-Rn	22413221
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22413221&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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	2-halobenzoic acids and derivatives Benzamides N-arylamides Benzoyl derivatives Bromobenzenes Fatty amides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Fatty acyl - Fatty amide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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
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

3D 구조

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리뷰

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용해성	Solvent:DMSO, Max Conc. mg/mL: 36.12, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 36.12, Max Conc. mM: 100
분자량	361.200 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	360.047 Da
Monoisotopic Mass	360.047 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	389.000
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