(2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: (2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
• 英文别名: [2-chloro-3-(trifluoromethyl)phenyl]-[8-methyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
• 化学式: C₁₉H₁₅ClF₃N₅O
• 分子量: 421.809
• InChiKey: CJGMJEYIRWOWHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone 在 CHIRALCEL OD-H 作用下， 以 二氧化碳 、 异丙醇 为溶剂， 反应 0.12h， 生成 (R*)-(2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone 、 (S*)-(2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
  参考文献：
  名称：

  US2014/275120

  摘要：

  公开号：
• 作为产物：
  描述：

  2,6-dimethyl-4-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 、 5-氯-2-三氟甲基苯甲酰氯 、 2-氟-3-(三氟甲基)苄氧基氯 在 8-methyl-4-(1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 作用下， 生成 (2-chloro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
  参考文献：
  名称：

  P2X7 MODULATORS

  摘要：

  本发明涉及一种公式（I）或（Ia）的化合物。本发明还涉及包含公式（I）或（Ia）化合物的药物组合物以及包括施用公式（I）或（Ia）化合物治疗类风湿性关节炎、骨关节炎、牛皮癣、败血症性休克、过敏性皮炎、哮喘、过敏性哮喘、轻度至重度哮喘、类固醇抵抗性哮喘、特发性肺纤维化、过敏性鼻炎、慢性阻塞性肺疾病、气道高反应性、神经和神经免疫系统疾病、神经病理性疼痛、炎性疼痛、自发性疼痛、阿片类药物引起的疼痛、糖尿病神经病变、带状疱疹性神经痛、腰痛、化疗引起的神经病理性疼痛、纤维肌痛、中枢神经系统有或无神经炎症的疾病、情绪障碍、重度抑郁症、治疗难度大的抑郁症、躁郁症、焦虑抑郁症、焦虑、认知、睡眠障碍、多发性硬化症、癫痫、帕金森病、精神分裂症、阿尔茨海默病、亨廷顿病、自闭症、脊髓损伤和脑缺血/创伤性脑损伤、与压力相关的疾病、心血管、代谢、消化和泌尿系统疾病，如糖尿病、糖尿病、血栓形成、肠易激综合征、克罗恩病、缺血性心脏病、缺血、高血压、心血管疾病、心肌梗死，以及下尿路功能障碍，如失禁、下尿路综合征、多囊肾病、肾小球肾炎、骨骼疾病、骨质疏松症、骨化不全症和青光眼、间质性膀胱炎、咳嗽、输尿管梗阻、败血症、肌萎缩性侧索硬化症、查加氏病、沙眼衣原体感染、神经母细胞瘤、结核病和偏头痛的方法。

  公开号：

  US20160024082A1

文献信息

• P2X7 Modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10323032B2

  公开（公告）日：2019-06-18

  The present invention is directed to a compound of Formula (I) or (Ia) The invention also relates to pharmaceutical compositions comprising compounds of Formula (I) or (Ia). Methods of making and using the compounds of Formula (I) or (Ia) are also within the scope of the invention.

  本发明涉及式 (I) 或 (Ia) 的化合物 本发明还涉及包含式（I）或（Ia）化合物的药物组合物。式（I）或（Ia）化合物的制造和使用方法也属于本发明的范围。
• US20140275120A1
  申请人：——

  公开号：US20140275120A1

  公开（公告）日：2014-09-18
• US9096596B2
  申请人：——

  公开号：US9096596B2

  公开（公告）日：2015-08-04
• US9604982B2
  申请人：——

  公开号：US9604982B2

  公开（公告）日：2017-03-28
• [EN] P2X7 MODULATORS<br/>[FR] MODULATEURS DE P2X7
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2014152589A1

  公开（公告）日：2014-09-25

  The present invention is directed to a compound of Formula (I) or (la) The invention also relates to pharmaceutical compositions comprising compounds of Formula (I) or (la) and methods comprising administering of compounds of Formula (I) or (la) for treating rheumatoid arthritis, osteoarthritis, psoriasis, septic shock, allergic dermatitis, asthma, allergic asthma, mild to severe asthma, steroid resistant asthma, idiopathic pulmonary fibrosis, allergic rhinitis, chronic obstructive pulmonary disease; airway hyper-responsiveness, diseases of the nervous and neuro-immune system, acute and chronic pain states of neuropathic pain, inflammatory pain, spontaneous pain, opioid induced pain, diabetic neuropathy, postherpetic neuralgia, low back pain, chemotherapy-induced neuropathic pain, fibromyalgia, diseases involved with and without neuroinflammation of the central nervous system, mood disorders, major depression, major depressive disorder, treatment resistant depression, bipolar disorder, anxious depression, anxiety, cognition, sleep disorders, multiple sclerosis, epileptic seizures, Parkinson's disease, schizophrenia, Alzheimer's disease, Huntington's disease, autism, spinal cord injury and cerebral ischemia/traumatic brain injury, stress- related disorders, diseases of the cardiovascular, metabolic, gastrointestinal and urogenital systems such as diabetes, diabetes mellitus, thrombosis, irritable bowel syndrome, irritable bowel disease, Crohn's disease, ischemic heart disease, ischaemia, hypertension, cardiovascular disease, myocardial infarction, and lower urinary tract dysfunction such as incontinence, lower urinary tract syndrome, Polycystic Kidney Disease, Glomerulonephritis, skeletal disorders, osteoporosis, osteopetrosis, and glaucoma, interstitial cystitis, cough, ureteric obstruction, sepsis, Amyotrophic Lateral Sclerosis, Chaga's Disease, chlamydia, neuroblastoma, Tuberculosis, and migraine.