BAM7 - ≥99% , CAS No.331244-89-4

CAS: 331244-89-4 Cat. No.: B125119 분자식: C₂₁H₁₉N₅O₂S 분자량: 405.47 EC 번호: 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

개요

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

Specifications

동의어

(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-

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

Pubchem Sid

528763364

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

PubChem CID

3101542

분자량

405.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 4.05, Max Conc. mM: 10
• 분자량: 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