tert-butyl N-[3,3,3-trifluoro-1-(hydroxymethyl)propyl]carbamate | 454170-50-4

• 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: tert-butyl N-[3,3,3-trifluoro-1-(hydroxymethyl)propyl]carbamate
• 英文别名: tert-butyl 4,4,4-trifluoro-1-hydroxybutan-2-ylcarbamate；(+/-)-2-N-t-butoxycarbonylamino-4,4,4-trifluoro-1-butanol；Tert-butyl (4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate；tert-butyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate
• CAS: 454170-50-4
• 化学式: C₉H₁₆F₃NO₃
• 分子量: 243.226
• InChiKey: YQODVUUZNPHLQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3,3,3-trifluoro-1-(hydroxymethyl)propyl]carbamate 在 2-碘酰基苯甲酸 作用下， 以 乙腈 为溶剂， 以81 %的产率得到tert-butyl (4,4,4-trifluoro-1-oxobutan-2-yl)carbamate
  参考文献：
  名称：

  WO2024182404A1

  摘要：

  公开号：
• 作为产物：
  描述：

  叔丁氧羰基-2-氨基-4-4,4-三氟丁酸 在 氯甲酸乙酯 、 N,N-二异丙基乙胺 、 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以80%的产率得到tert-butyl N-[3,3,3-trifluoro-1-(hydroxymethyl)propyl]carbamate
  参考文献：
  名称：

  WO2007/136703

  摘要：

  公开号：

文献信息

• [EN] CANNABINOID RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS DES CANNABINOÏDES
  申请人：ARENA PHARM INC

  公开号：WO2012116279A1

  公开（公告）日：2012-08-30

  Provided are certain methods useful in the treatment of pain comprising administering a compound of Formula Ia and pharmaceutical compositions thereof that modulate the activity of the cannabinoid CB2 receptor.

  提供了一些在治疗疼痛方面有用的方法，包括给予化合物Ia的复方及其药物组合物，以调节大麻素CB2受体的活性。
• Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods
  申请人：Ligand Pharmaceuticals Incorporated

  公开号：US20020183314A1

  公开（公告）日：2002-12-05

  Novel non-steroidal tricyclic quinolinone and tricyclic quinoline compounds and compositions that are agonists, partial agonists and/or antagonists for androgen receptors (AR), their preparation and their uses are described.

  描述了一种新型的非甾体三环喹诺酮和三环喹啉化合物以及对雄激素受体（AR）具有激动剂、部分激动剂和/或拮抗剂作用的组合物，以及它们的制备和用途。
• [EN] ARYL LACTAM KINASE INHIBITORS<br/>[FR] INHIBITEURS D'ARYL-LACTAME KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015116060A1

  公开（公告）日：2015-08-06

  The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

  本公开涉及一般可抑制AAK1（适配器相关激酶1）的化合物，包括这种化合物的组合物，以及抑制AAK1的方法。
• [EN] CANNABINOID RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS DE CANNABINOÏDES
  申请人：ARENA PHARM INC

  公开号：WO2011025541A1

  公开（公告）日：2011-03-03

  The present invention relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activity of the cannabinoid CB2 receptor. The present invention further relates to certain compounds of Formula Ia and pharmaceutical compositions thereof that modulate the activities of both the CB1 receptor and the CB2 receptor. Compounds of the present invention and pharmaceutical compositions thereof are directed to methods useful in the treatment of: pain, for example bone and joint pain, muscle pain, dental pain, migraine and other headache pain, inflammatory pain, neuropathic pain, pain that occurs as an adverse effect of therapeutics and pain associated with osteoarthritis; hyperalgesia; allodynia; inflammatory hyperalgesia; neuropathic hyperalgesia; acute nociception; osteoporosis; multiple sclerosis-associated spasticity; autoimmune disorders; allergic reactions; CNS inflammation; atherosclerosis; undesired immune cell activity and inflammation; age-related macular degeneration; cough; leukemia; lymphoma; CNS tumors; prostate cancer; Alzheimer's disease; stroke-induced damage; dementia; amyotrophic lateral sclerosis, and Parkinson's disease.

  本发明涉及某些化合物Ia的配方和调节大麻素CB2受体活性的药物组合物。本发明还涉及某些化合物Ia的配方和药物组合物，其调节CB1受体和CB2受体的活性。本发明的化合物和药物组合物用于治疗以下疾病的方法：疼痛，例如骨骼和关节疼痛，肌肉疼痛，牙痛，偏头痛和其他头痛，炎症性疼痛，神经痛，作为治疗的不良反应而发生的疼痛以及与骨关节炎相关的疼痛；痛觉过敏；触觉过敏；炎症性痛觉过敏；神经痛觉过敏；急性疼痛感；骨质疏松症；多发性硬化症相关的痉挛；自身免疫性疾病；过敏反应；中枢神经系统炎症；动脉粥样硬化；不良的免疫细胞活性和炎症；年龄相关的黄斑变性；咳嗽；白血病；淋巴瘤；中枢神经系统肿瘤；前列腺癌；阿尔茨海默病；中风引起的损伤；痴呆症；肌萎缩侧索硬化和帕金森病。
• Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto
  申请人：TEEGARDEN BRADLEY

  公开号：US20120270861A1

  公开（公告）日：2012-10-25

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT 2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggreagation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT 2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及式(Ia)的某些化合物及其制药组合物，这些化合物调节5-HT2A 5-羟色胺受体的活性。这些化合物及其制药组合物用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性脑缺血发作、心绞痛、中风、心房颤动、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物诱导的精神病、兴奋性精神病、Gilles de la Tourette综合征、躁狂障碍、器质性或非器质性精神病、精神病、急性精神分裂症、慢性精神分裂症、非特异性精神分裂症及相关疾病以及睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等方面的治疗方法。本发明还涉及与其他药物分别或同时给予的联合治疗5-HT2A 5-羟色胺受体相关疾病的方法。