BVT 2733 - ≥98% , CAS No.376640-41-4

CAS: 376640-41-4 Cat. No.: B412243 Peso molecular: 428.96 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764378
• Sonrisas canónicas: 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)
• Isómeros SMILES: CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 86 mg/mL (200.48 mM); Ethanol: 3 mg/mL (6.99 mM); Water: ˂1 mg/mL
• Peso molecular: 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