2-(1,1-二甲基乙基)苯乙腈 | 72269-54-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1,1-二甲基乙基)苯乙腈
• 英文名称: 2-tert.-Butyl-benzylcyanid
• 英文别名: Benzeneacetonitrile, 2-(1,1-dimethylethyl)-；2-(2-tert-butylphenyl)acetonitrile
• CAS: 72269-54-6
• 化学式: C₁₂H₁₅N
• 分子量: 173.258
• InChiKey: QCOBYVFHJPONNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(1,1-二甲基乙基)苯乙腈 在 氢氧化钾 作用下， 生成 (2-叔-丁基苯基)乙酸
  参考文献：
  名称：

  van Zanten,B.; Nauta,W., Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(氯甲基)-2-叔丁基苯 、 氰化钠 以 乙醇 为溶剂， 生成 2-(1,1-二甲基乙基)苯乙腈
  参考文献：
  名称：

  van Zanten,B.; Nauta,W., Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

  摘要：

  DOI：

文献信息

• Substituted Pyrazalones
  申请人：Lee Wen-Cherng

  公开号：US20100056505A1

  公开（公告）日：2010-03-04

  The invention is related to compounds of formula (I) as antagonists of the TGFβ family type I receptors, Alk5 and/or AIk 4, compositions and methods of use. The compounds of formula (I) can be employed in the prevention and/or treatment of diseases such as fibrosis (e.g., renal fibrosis, pulmonary fibrosis, and hepatic fibrosis), progressive cancers, or other diseases for which reduction of TGFβ family signaling activity is desirable.

  该发明涉及式(I)的化合物作为TGFβ家族类型I受体Alk5和/或AIk 4的拮抗剂，以及使用的组合物和方法。式(I)的化合物可用于预防和/或治疗纤维化（如肾脏纤维化、肺部纤维化和肝脏纤维化）、进展性癌症或其他需要降低TGFβ家族信号活性的疾病。
• NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS
  申请人：Riguet Eric

  公开号：US20100004246A1

  公开（公告）日：2010-01-07

  The present invention provides novel compounds of formula I wherein W 1 , W 2 , W 3 , W 4 , W 5 , B, X 1 , X 2 , X 3 , X 4 , X 5 , E and L are as defined herein; invention compounds are gamma amino butyrique acid receptor-subtype B (“GABA B ”) positive allosteric modulators (enhancers), which are useful to provide methods of treating or preventing diseases or disorders, including treatment of anxiety, depression, epilepsy, schizophrenia, cognitive disorders, spasticity and skeletal muscle rigidity, spinal cord injury, multiple sclerosis, amyotrophic lateral sclerosis, cerebral palsy, neuropathic pain and craving associated with cocaine and nicotine, panic disorder, posttraumatic stress disorders, urge urinary incontinence, gastroesophageal reflux disease, transient lower oesophageal sphincter relaxations, functional gastrointestinal disorders and irritable bowel syndrome.

  本发明提供了式I的新化合物，其中W1、W2、W3、W4、W5、B、X1、X2、X3、X4、X5、E和L的定义如本文所述；发明的化合物是γ-氨基丁酸受体亚型B（“GABAB”）正向变构调节剂（增强剂），可用于提供治疗或预防疾病或疾病的方法，包括焦虑、抑郁、癫痫、精神分裂症、认知障碍、痉挛和骨骼肌肌紧张、脊髓损伤、多发性硬化、肌萎缩性侧索硬化、脑瘫、神经痛和与可卡因和尼古丁相关的渴望、惊恐障碍、创伤后应激障碍、急迫性尿失禁、胃食管反流病、暂时性下食管括约肌松弛、功能性胃肠疾病和肠易激综合征的治疗。
• Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof
  申请人：Fensholdt Jef

  公开号：US20070244117A1

  公开（公告）日：2007-10-18

  The invention relates to compounds of general formula I wherein D, E, F, G, W, Y, R 1 , A, R 9 , X, B, R 8 are as defined herein, and pharmaceutically acceptable salts, hydrates, or solvates thereof, for use—alone or in combination with one or more other pharmaceutically active compounds—in therapy, for treating diseases associated with deregulated angiogenesis, such as cancer.

  本发明涉及一般式I的化合物，其中D、E、F、G、W、Y、R1、A、R9、X、B、R8如本文所定义，并且其药学上可接受的盐、水合物或溶剂化物，用于治疗与异常血管生成相关的疾病，如癌症，可单独使用或与一个或多个其他药理活性化合物联合使用。
• Crf Receptor Antagonists and Methods Relating Thereto
  申请人：Luo Zhiyong

  公开号：US20070287705A1

  公开（公告）日：2007-12-13

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure (I), including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, Y, Ar, and het are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了CRF受体拮抗剂，其在治疗各种疾病中具有用途，包括治疗温血动物中CRF分泌过多表现的疾病，例如中风。本发明的CRF受体拮抗剂具有以下结构（I），包括立体异构体、前药和其药物可接受的盐，其中R1、R2、R3、Y、Ar和het的定义如下。本发明还揭示了含有CRF受体拮抗剂和药物可接受载体的组合物，以及使用它们的方法。
• Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5
  申请人：Kamenecka M. Theodore

  公开号：US20070027321A1

  公开（公告）日：2007-02-01

  The present invention is directed to novel bipyridyl amine and ether compounds such as those of Formula (I): (I) (where R?1#191, R?2#191, R?3#191, X and Y are as defined herein) which are mGluR5 modulators useful in the treatment or prevention of diseases and conditions in which mGluR5 is involved, including but not limited to psychiatric and mood disorders such as schizophrenia, anxiety, depression, bipolar disorders, and panic, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm and sleep disorders, such as shift-work induced sleep disorder and jet-lag, drug addiction, drug abuse, drug withdrawal, obesity and other diseases. The invention is also directed to pharmaceutical compositions comprising these compounds. This invention further provides a method of treatment of these disorders and conditions by the administration of an effective amount of these novel bipyridyl amine and/or ether compounds and/or compositions containing these compounds.

  本发明涉及新型的联吡啶胺和醚化合物，例如公式(I)中的化合物：(I) (其中R?1#191，R?2#191，R?3#191，X和Y如本文所定义)，这些化合物是mGluR5调节剂，可用于治疗或预防涉及mGluR5的疾病和病况，包括但不限于精神和情绪障碍，如精神分裂症、焦虑、抑郁、双相障碍和惊恐，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律和睡眠障碍，如倒班工作引起的睡眠障碍和时差反应、药物成瘾、药物滥用、戒断综合征、肥胖症和其他疾病。本发明还涉及包含这些化合物的药物组合物。本发明还提供了通过给予这些新型联吡啶胺和/或醚化合物和/或含有这些化合物的组合物的有效量来治疗这些障碍和病况的方法。