BVT 2733 - ≥98% , CAS No.376640-41-4

CAS: 376640-41-4 Cat. No.: B412243 분자식: C₁₇H₂₁ClN₄O₃S₂ 분자량: 428.96 EC 번호: 808-805-6

GRADE & PURITY ≥98%

Synonyms

BVT.2733 | MFCD13152134 | Piperazine, 1-((2-(((3-chloro-2-methylphenyl)sulfonyl)amino)-4-thiazolyl)acetyl)-4-methyl- | EX-A2997 | NCGC00386635-01 | DTXSID00191083 | BDBM50117900 | NSC96962 | SCHEMBL368251 | 1,3-Phenylene bismalemide | BB179811 | C17H21ClN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

BVT 2733 BVT 2733, a new small molecule, is a non-steroidal, isoform-selective inhibitor of 11beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1) .

Targets

11β-HSD1

Specifications

동의어

BVT.2733 | MFCD13152134 | Piperazine, 1-((2-(((3-chloro-2-methylphenyl)sulfonyl)amino)-4-thiazolyl)acetyl)-4-methyl- | EX-A2997 | NCGC00386635-01 | DTXSID00191083 | BDBM50117900 | NSC96962 | SCHEMBL368251 | 1,3-Phenylene bismalemide | BB179811 | C17H21ClN

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

BVT 2733, a new small molecule, is a non-steroidal, isoform-selective inhibitor of 11beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1).

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504764378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764378
• 정식 스마일: CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C
• IUPAC Name: 3-chloro-2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
• InChIKey: YDPRNGAPPNPYQQ-UHFFFAOYSA-N
• INCHI: 1S/C17H21ClN4O3S2/c1-12-14(18)4-3-5-15(12)27(24,25)20-17-19-13(11-26-17)10-16(23)22-8-6-21(2)7-9-22/h3-5,11H,6-10H2,1-2H3,(H,19,20)
• 이성체 SMILES: CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C
• 분자량: 428.96
• Reaxy-Rn: 9224964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9224964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Toluenes 2,4-disubstituted thiazoles N-methylpiperazines Chlorobenzenes Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - N-alkylpiperazine - N-methylpiperazine - Toluene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiazole - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

관련 대상(인간)

HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1 Activities)

Discover Target: HSD17B2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 86 mg/mL (200.48 mM); Ethanol: 3 mg/mL (6.99 mM); Water: ˂1 mg/mL
• 분자량: 429.000 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 428.074 Da
• Monoisotopic Mass: 428.074 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 622.000
• 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