2-[5-[chloro-[(3-chlorophenyl)methyl]carbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡嗪类
• 英文名称: 2-[5-[chloro-[(3-chlorophenyl)methyl]carbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• 化学式: C₁₉H₁₂Cl₂N₄O₃S
• 分子量: 447.3
• InChiKey: BMVINENJAKXYPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• PYRROLOPYRAZINE KINASE INHIBITORS
  申请人：Hoffmann-La Roche Inc.

  公开号：US20140155376A1

  公开（公告）日：2014-06-05

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula I, wherein the variables Q and R, R 2 , and R 3 are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及使用公式I中的新型吡咯吡嗪衍生物，其中变量Q和R，R2和R3的定义如本文所述，它们抑制JAK和SYK，并且对于治疗自身免疫和炎症性疾病是有用的。
• Deuterium-Enriched Pyrimidine Compounds and Derivatives
  申请人：Dhanoa Daljit Singh

  公开号：US20130040957A1

  公开（公告）日：2013-02-14

  The present invention is concerned with deuterium-enriched pyrimidine compounds of formula I, their derivatives, enantiomers, diastereomers, solvates and pharmaceutical salts thereof, and their uses in the treatment, prevention and modulation of various diseases including chronic liver diseases, liver cirrhosis, liver fibrosis, hepatocellular carcinoma, liver cancer, renal cell carcinoma, kidney cancer, colorectal cancer, brain cancer, breast cancer, blood cancer, lung cancer, thyroid cancer, ovarian cancer, pancreas cancer, prostate cancer, stomach cancer, testicular cancer, uterus cancer, intestinal cancer, skin cancer, and other forms of cancer, carcinoid tumors, teratocarcinoma, tumor progression, metastasis and fibrosis in the neuroendocrine neoplasia, fibrotic processes as well as a disease state modulated directly or indirectly with 5-HT receptors, 5-HT 1 , 5-HT 1A , 5-HT 2 receptors, 5-HT 2A and 5-HT 2B receptors, dopamine receptors and multiple kinase pathways.