56278-50-3 | Benzothiazole-2-acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$9.00	$7.00
5g	98%	in stock	$11.00	$8.00
25g	98%	in stock	$49.00	$35.00

Description

• Catalog Number: AB70973
• Chemical Name: Benzothiazole-2-acetonitrile
• CAS Number: 56278-50-3
• Molecular Formula: C9H6N2S
• Molecular Weight: 174.2223
• MDL Number: MFCD00051633
• SMILES: N#CCc1nc2c(s1)cccc2
• NSC Number: 379416

Computed Properties

• Complexity: 208
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 2.3

Literature

• Activation of JNK triggers release of Brd4 from mitotic chromosomes and mediates protection from drug-induced mitotic stress.

  PloS one 20120101

• Synthesis, characterization of some benzazoles bearing pyridine moiety: search for novel anticancer agents.

  European journal of medicinal chemistry 20110901

• Overweight worsens apoptosis, neuroinflammation and blood-brain barrier damage after hypoxic ischemia in neonatal brain through JNK hyperactivation.

  Journal of neuroinflammation 20110101

• Solvatochromic, acid-base features and time effect of some azo dyes derived from 1,3-benzothiazol-2-ylacetonitrile: experimental and semiempirical investigations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100201

• FoxO and stress responses in the cnidarian Hydra vulgaris.

  PloS one 20100101

• Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors.

  Bioorganic & medicinal chemistry letters 20061115

• Exploration of a binding mode of benzothiazol-2-yl acetonitrile pyrimidine core based derivatives as potent c-Jun N-terminal kinase-3 inhibitors and 3D-QSAR analyses.

  Journal of chemical information and modeling 20060101

• Design and synthesis of the first generation of novel potent, selective, and in vivo active (benzothiazol-2-yl)acetonitrile inhibitors of the c-Jun N-terminal kinase.

  Journal of medicinal chemistry 20050714