(±)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-thioxopiperazin-2-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (±)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-thioxopiperazin-2-one
• 英文别名: (+/-)-1-(2-Chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-thioxopiperazin-2-one；1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-6-cyclopropyl-3-sulfanylidenepiperazin-2-one
• 化学式: C₁₅H₁₄ClF₃N₂OS
• 分子量: 362.803
• InChiKey: HEJCROJBQOPMPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  64.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-吡啶甲酰肼 、 (±)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-thioxopiperazin-2-one 在 hexanes 作用下， 以 正丁醇 为溶剂， 反应 16.0h， 以to afford the desired product as a white solid (68 mg, 55%)的产率得到(±)-7-[2-chloro-3-(trifluoromethyl)benzyl]-6-cyclopropyl-3-pyridin-3-yl-6,7-dihydro[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one
  参考文献：
  名称：

  [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators

  摘要：

  本发明涉及一种式子为(I)的化合物，以及包含该化合物的制药组合物。制备和使用该化合物的方法也属于本发明的范围。

  公开号：

  US09040534B2
• 作为产物：
  描述：

  (±)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropylpiperazine-2,3-dione 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以86%的产率得到(±)-1-(2-chloro-3-(trifluoromethyl)benzyl)-6-cyclopropyl-3-thioxopiperazin-2-one
  参考文献：
  名称：

  US2014/275096

  摘要：

  公开号：

文献信息

• [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US09040534B2

  公开（公告）日：2015-05-26

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

  本发明涉及一种式子为(I)的化合物，以及包含该化合物的制药组合物。制备和使用该化合物的方法也属于本发明的范围。
• [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20150290190A1

  公开（公告）日：2015-10-15

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

  本发明涉及一种化合物(I)及包含化合物(I)的药物组合物。本发明还涉及制备和使用化合物(I)的方法。
• Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10053463B2

  公开（公告）日：2018-08-21

  The present invention is directed to a compound of Formula (I). The invention also relates to pharmaceutical compositions comprising compounds of Formula (I) and methods comprising administering to a subject at least one compound selected from compounds of Formula (I) for treating diseases mediated by P2X7 receptor activity, such as 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.

  本发明涉及式（I）化合物。本发明还涉及包含式（I）化合物的药物组合物和方法，其包括给受试者施用至少一种选自式（I）化合物的化合物，以治疗由 P2X7 受体活性介导的疾病，如类风湿性关节炎、骨关节炎、银屑病、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、类固醇耐药哮喘、特发性肺纤维化、过敏性鼻炎、慢性阻塞性肺病；气道高反应性、神经和神经免疫系统疾病、神经病理性疼痛、炎症性疼痛、自发性疼痛、阿片类药物引起的疼痛、糖尿病神经病变、带状疱疹后神经痛、腰痛、化疗引起的神经病理性疼痛、纤维肌痛、中枢神经系统神经炎症或无神经炎症的疾病、情绪障碍、重度抑郁症、重度抑郁障碍、抗药性抑郁症、双相情感障碍、焦虑性抑郁症、焦虑症、认知障碍、睡眠障碍、多发性硬化症、癫痫发作、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/脑外伤、与压力有关的疾病，心血管、新陈代谢、胃肠道和泌尿生殖系统疾病，如糖尿病、糖尿病、血栓形成、肠易激综合征、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、心肌梗塞、下尿路功能障碍，如尿失禁、下尿路综合征、多囊肾、肾小球肾炎、骨骼疾病、骨质疏松症、骨质软化症、青光眼、间质性膀胱炎、咳嗽、输尿管梗阻、败血症、肌萎缩侧索硬化症、查加氏症、衣原体病、神经母细胞瘤、结核病和偏头痛。
• US20140275096A1
  申请人：——

  公开号：——

  公开（公告）日：——
• US9040534B2
  申请人：——

  公开号：US9040534B2

  公开（公告）日：2015-05-26