1003712-18-2 Usage
Description
2,3-Difluoro-5-Methylbenzonitrile is a colorless liquid chemical compound belonging to the class of benzonitriles, characterized by a molecular formula of C8H4F2N. It is known for its strong and distinct odor and is recognized for its potential health hazards and flammability, necessitating careful handling.
Uses
Used in Pharmaceutical Industry:
2,3-Difluoro-5-Methylbenzonitrile is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of various medicinal compounds, enhancing the range of available treatments.
Used in Agrochemical Industry:
In the agrochemical sector, 2,3-Difluoro-5-Methylbenzonitrile serves as an intermediate, playing a crucial role in the production of agrochemicals that are vital for crop protection and enhancement of agricultural yields.
Used in Organic Synthesis:
2,3-Difluoro-5-Methylbenzonitrile is utilized in organic reactions, acting as a building block for the creation of more complex chemical compounds, thereby expanding the scope of organic chemistry and its applications.
Used in Chemical Research:
2,3-Difluoro-5-Methylbenzonitrile is also employed in chemical research, where it aids in the exploration of new reaction pathways and the synthesis of novel organic compounds, contributing to the advancement of chemical knowledge and innovation.
Check Digit Verification of cas no
The CAS Registry Mumber 1003712-18-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,3,7,1 and 2 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1003712-18:
(9*1)+(8*0)+(7*0)+(6*3)+(5*7)+(4*1)+(3*2)+(2*1)+(1*8)=82
82 % 10 = 2
So 1003712-18-2 is a valid CAS Registry Number.
1003712-18-2Relevant articles and documents
Discovery, mechanism and metabolism studies of 2,3-difluorophenyl-linker-containing PARP1 inhibitors with enhanced in?vivo efficacy for cancer therapy
Chen, Wenhua,Guo, Ne,Qi, Minghui,Dai, Haiying,Hong, Minghuang,Guan, Longfei,Huan, Xiajuan,Song, Shanshan,He, Jinxue,Wang, Yingqing,Xi, Yong,Yang, Xinying,Shen, Yanyan,Su, Yi,Sun, Yiming,Gao, Yinglei,Chen, Yi,Ding, Jian,Tang, Yun,Ren, Guobin,Miao, Zehong,Li, Jian
, p. 514 - 531 (2017)
Poly (ADP-ribose) polymerase 1 (PARP1) is overexpressed in a variety of cancers, especially breast and ovarian cancers, and tumor cell lines deficient in breast cancer gene 1/2 (BRCA1/2) are highly sensitive to PARP1 inhibition. In this study, with the help of molecular docking, we identified a novel series of 2,3-difluorophenyl-linker analogues (15–54) derived from olaparib (1) as PARP1 inhibitors. Lead optimization led to the identification of 47, which showed high selectivity and high potency against PARP1 enzyme (IC50 = 1.3 nM), V-C8 cells (IC50 = 0.003 nM), Capan-1 cells (IC50 = 7.1 nM) and MDA-MB-436 cells (IC50 = 0.2 nM). Compound 47 had more potent PARP1-DNA trapping and double-strand breaks (DSBs)-induction activities than 1 and induced G2/M arrest and caspase-dependent apoptosis. Compound 47 (50 mg/kg, 94.2%) had a more beneficial effect on tumor growth inhibition than 1 (100 mg/kg, 65.0%) in a BRCA1-mutated xenograft model and significantly inhibited tumor growth (40 mg/kg, 48.1%) in a BRCA2-mutated xenograft model, with no negative influence on the body weight of the mice. Collectively, these data demonstrated that 47 might be an excellent drug candidate for the treatment of cancer, especially for BRCA-deficient tumors.