N-(1-(3-cyano-4-fluorobenzyl-d5)piperidin-4-yl-d5)-6-chlorothieno-d1[2,3-d]pyrimidine-d1-4-amine-d1 | 1263673-12-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: N-(1-(3-cyano-4-fluorobenzyl-d5)piperidin-4-yl-d5)-6-chlorothieno-d1[2,3-d]pyrimidine-d1-4-amine-d1
• 英文别名: 3-[[4-[(6-Chloro-2,5-dideuteriothieno[2,3-d]pyrimidin-4-yl)-deuterioamino]-3,3,4,5,5-pentadeuteriopiperidin-1-yl]-dideuteriomethyl]-2,4,5-trideuterio-6-fluorobenzonitrile
• CAS: 1263673-12-6
• 化学式: C₁₉H₁₇ClFN₅S
• 分子量: 414.792
• InChiKey: IENZFHBNCRQMNP-NHCZBSCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Deuterium-enriched pyrimidine compounds and derivatives
  申请人：Dhanoa Daljit Singh

  公开号：US20110028496A1

  公开（公告）日：2011-02-03

  The present invention is concerned with deuterium-enriched pyrimidine compounds of formula I, their derivatives and pharmaceutically acceptable salts and methods of use thereof for the treatment of pulmonary arterial hypertension, pulmonary hypertension associated with chronic obstructive pulmonary disease (COPD), asthma, cystic fibrosis, hypertension, ischemic stroke, angina pectoris, congestive heart failure, arrhythmia, arterial fibrillation, Alzheimer's disease, cognition impairment, memory decline, and schizophrenia, and depression.
• 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.
• US9271979B2
  申请人：——

  公开号：US9271979B2

  公开（公告）日：2016-03-01
• US9271980B2
  申请人：——

  公开号：US9271980B2

  公开（公告）日：2016-03-01