BAM7 - ≥99% , CAS No.331244-89-4

CAS: 331244-89-4 Cat. No.: B125119 Fórmula: C₂₁H₁₉N₅O₂S Peso molecular: 405.47 Número CE: 803-524-5 PubChem CID: 3101542

GRADE & PURITY ≥99%

Synonyms

(E)-4-(2-(2-Ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one | s7105 | SCHEMBL16266655 | 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one | SCHEMBL16266654 | (4E)-3-methyl-1-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

BAM 7 is a direct and selective activator of proapoptotic Bax with EC50 of 3.3 μM

Specifications

Sinónimos

(E)-4-(2-(2-Ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one | s7105 | SCHEMBL16266655 | 4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one | SCHEMBL16266654 | (4E)-3-methyl-1-

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Bax activator (EC50= 3.3μM); binds at the BH3-binding site. Selective for Bax over other antiapoptotic and proapoptotic proteins. Triggers Bax oligomerizationin vitro; induces Bax-mediated apoptosis in mouse embryonic fibroblasts.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

528763364

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763364

Sorrisos canónicos

CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C

IUPAC Name

4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

InChIKey

WRLVHADVOGFZOZ-UHFFFAOYSA-N

INCHI

1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,25H,3H2,1-2H3

SMILES isoméricas

CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C

WGK Alemanha

3

PubChem CID

3101542

Peso molecular

405.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers 2,4-disubstituted thiazoles Pyrazolones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Pyrazolinone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiazole - Pyrazole - Azole - Lactam - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 4.05, Max Conc. mM: 10
• Peso molecular: 405.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 405.126 Da
• Monoisotopic Mass: 405.126 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 649.000
• 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