41381-89-9

Basic information

• Product Name: 2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE
• Synonyms: IFLAB-BB F0848-0153;(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE;(4-PHENYLTHIAZOL-2-YL)ACETONITRILE;AKOS BBS-00000043;2-(4-PHENYLTHIAZOL-2-YL)ACETONITRILE;2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE;SALOR-INT L499617-1EA;2-CyanoMethyl-4-phenylthiazole
• CAS NO: 41381-89-9
• Molecular Formula: C₁₁H₈N₂S
• Molecular Weight: 200.26
• Product Categories: Thiazoles, Isothiazoles & Benzothiazoles
• Mol File: 41381-89-9.mol
• Article Data: 12

Chemical Properties

• Melting Point: 59 °C
• Boiling Point: 378.5 °C at 760 mmHg
• Flash Point: 182.7 °C
• Appearance: Pale brown/Solid
• Density: 1.223
• Vapor Pressure: 6.28E-06mmHg at 25°C
• Refractive Index: 1.61
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.04±0.10(Predicted)
• CAS DataBase Reference: 2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE(41381-89-9)
• EPA Substance Registry System: 2-(4-PHENYL-1,3-THIAZOL-2-YL)ACETONITRILE(41381-89-9)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: 6.1
• Hazardous Substances Data: 41381-89-9(Hazardous Substances Data)

Usage

General Description

2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile is a chemical compound that belongs to the class of thiazole derivatives. It is a colorless to pale yellow solid that is used in organic synthesis and pharmaceutical research. 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile has potential biological activities and has been studied for its antimicrobial, antifungal, and anticancer properties. It has also been identified as a key intermediate in the synthesis of various pharmaceutical compounds. 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile is a versatile building block in synthetic chemistry and has the potential for various applications in the pharmaceutical and agrochemical industries.

InChI:InChI=1/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2

Upstream product

• 2010-06-2 2-Amino-4-phenylthiazole 
• 1826-23-9 2-chloro-4-phenylthiazole 
• 75-05-8 acetonitrile 
• 115071-97-1 α-(4-phenyl-2-thiazolyl)-p-methoxycinnamonitrile 
• 7357-70-2 Cyanothioacetamide 
• 70-11-1 α-bromoacetophenone 

Downstream Products

• 38107-10-7 4-phenylthiazole-2-ylacetic acid 
• 1221931-52-7 C₂₃H₂₄N₂O₃S 
• 1221918-42-8 C₁₉H₁₆N₂O₃S 
• 1392269-37-2 6-phenyl-3-(4-phenylthiazol-2-yl)-6H-pyrido[3,2-c]cinnolin-2-one 
• 1392269-44-1 4-phenyl-7-(4-phenylthiazol-2-yl)-4H-1-thia-4,5,9-triazacyclopenta[a]naphthalen-8-one 
• 1392269-49-6 4-phenyl-7-(4-phenylthiazol-2-yl)-4H-1-oxa-4,5,9-triazacyclopenta[a]naphthalen-8-one 
• 54317-44-1 4,6-dimethyl-3-(4-phenyl-thiazol-2-yl)-1H-pyridin-2-one 
• 54317-39-4 3,3-bis-methylsulfanyl-2-(4-phenyl-thiazol-2-yl)-acrylonitrile 
• 54317-37-2 2-[4-amino-5-benzoyl-3-(4-phenyl-thiazol-2-yl)-thiophen-2-ylsulfanyl]-1-phenyl-ethanone 
• 54317-47-4 5-oxo-3-phenyl-thiazolo[4,3-b]thiazole-7-carbonitrile 
• 72740-58-0 1-(4-phenyl-2-thiazolyl)-2-phenyl-1-cyanoethylene 
• 54317-43-0 3-(4-phenyl-thiazol-2-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylamine 

Relevant articles and documents

Discovery and Optimization of 2 H-1λ2-Pyridin-2-one Inhibitors of Mutant Isocitrate Dehydrogenase 1 for the Treatment of Cancer

Neomorphic mutations in isocitrate dehydrogenase 1 (IDH1) are oncogenic for a number of malignancies, primarily low-grade gliomas and acute myeloid leukemia. We report a medicinal chemistry campaign around a 7,7-dimethyl-7,8-dihydro-2H-1λ2-quinoline-2,5(6H)-dione screening hit against the R132H and R132C mutant forms of isocitrate dehydrogenase (IDH1). Systematic SAR efforts produced a series of potent pyrid-2-one mIDH1 inhibitors, including the atropisomer (+)-119 (NCATS-SM5637, NSC 791985). In an engineered mIDH1-U87-xenograft mouse model, after a single oral dose of 30 mg/kg, 16 h post dose, between 16 and 48 h, (+)-119 showed higher tumoral concentrations that corresponded to lower 2-HG concentrations, when compared with the approved drug AG-120 (ivosidenib).

COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY

The present invention provides novel compounds of Formula (I) and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases, e.g., cancers (e.g., breast cancer, prostate cancer, lymphoma, lung cancer, pancreatic cancer, ovarian cancer, neuroblastoma, or colorectal cancer), benign neoplasms, angiogenesis, inflammatory diseases, fibrosis (e.g., polycystic kidney disease), autoinflammatory diseases, and autoimmune diseases in a subject.

MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER

Compounds of Formula I and Formula II and the pharmaceutically acceptable salts thereof are disclosed The variables A, B, Y, Z, X1, X2, R1-4 and R13-18 are disclosed herein. The compounds are useful for treating cancer disorders, especially those involving mutant IDH1 enzymes. Pharmaceutical compositions containing compounds of Formula I or Formula II and methods of treatment comprising administering compounds of Formula I and Formula II are also disclosed.