BVT 2733 - ≥98% , CAS No.376640-41-4

CAS: 376640-41-4 Cat. No.: B412243 Formula: C₁₇H₂₁ClN₄O₃S₂ Peso molecolare: 428.96 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504764378
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764378
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCN(CC3)C
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

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