3-叔-丁基环丁烷羧酸 | 66016-27-1

• 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
• 中文名称: 3-叔-丁基环丁烷羧酸
• 英文名称: 3-tert-butyl-cyclobutanecarboxylic acid
• 英文别名: 3-tert.-Butyl-cyclobutan-carbonsaeure-(1)；3-tert-butylcyclobutane-1-carboxylic acid
• CAS: 66016-27-1
• 化学式: C₉H₁₆O₂
• mdl: MFCD01734238
• 分子量: 156.225
• InChiKey: RWZPVFOKYIJACO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916209090

反应信息

• 作为反应物：
  描述：

  3-叔-丁基环丁烷羧酸 在 氯化亚砜 作用下， 生成 3-tert-Butyl-cyclobutanecarbonyl chloride
  参考文献：
  名称：

  Enthalpy, entropy, and free-energy changes in the equilibration of cis- and trans-ethyl 3-t-butylcyclobutanecarboxylate and 3-t-butyl-cyclobutanol

  摘要：

  DOI：

  10.1021/jo00832a065
• 作为产物：
  描述：

  2-tert-butyl-1,3-dibromopropane 在 氢氧化钾 、 oxonium 、 异戊醇钠 作用下， 反应 5.0h， 生成 3-叔-丁基环丁烷羧酸
  参考文献：
  名称：

  分析无序环丁酸结构

  摘要：

  摘要 一些环丁烷-d 2 分子的亚甲基弯曲模式分析表明，在溶解状态（溶剂 CCl 4 ）中，溴环丁烷仅以拟赤道形式存在，而在相同条件下，环丁醇和 1-溴环丁烷腈均以拟赤道形式存在。伪轴和伪赤道构象。NMR 光谱证实了对溴环丁烷获得的结果，并得出以下结论：在环丁醇和环丁烷腈的情况下，拟赤道构象异构体占主导地位。通过 PCILO 方法对气态环丁醇进行的理论研究给出了与伪赤道构象异构体一致的结果。

  DOI：

  10.1016/0022-2860(87)87063-1

文献信息

• [EN] NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES<br/>[FR] COMPOSÉS TRICYCLIQUES INNOVANTS SERVANT D'INHIBITEURS D'ENZYMES IDH MUTANTES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016089797A1

  公开（公告）日：2016-06-09

  The present invention is directed to tricyclic compounds of formula (I) which are inhibitors of one or more mutant IDH enzymes: (I). The present invention is also directed to uses of the tricyclic compounds described herein in the potential treatment or prevention of cancers in which one or more mutant IDH enzymes are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such cancers.

  本发明涉及式(I)的三环化合物，该化合物是野生型异柠檬酸脱氢酶（IDH）抑制剂：(I)。本发明还涉及将此处描述的三环化合物用于潜在治疗或预防涉及一个或多个突变IDH酶的癌症。本发明还涉及包含这些化合物的组合物。本发明还涉及将这些组合物用于潜在预防或治疗此类癌症。
• SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS
  申请人：Bignan Gilles

  公开号：US20110294780A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的癌症），心血管疾病，软骨相关疾病（如软骨损伤/丧失，软骨退化以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性腰部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺疾病，糖尿病，能量稳态紊乱，痛风，假性痛风，脂质紊乱，代谢综合征，多发性骨髓瘤，肥胖，骨关节炎，遗传性骨发育不全，骨溶解性骨转移，软骨软化症，骨质疏松症，帕金森病，牙周病，多肌痛风，Reiter综合征，重复性应激损伤，高血糖，血糖水平升高和胰岛素抵抗等病症的方法。
• TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Babu Srinivasan

  公开号：US20110201593A1

  公开（公告）日：2011-08-18

  The invention provides novel compounds of formula I having the general formula: wherein R 1 , R 2 , R 3 , X and Y are as described herein. Accordingly, the compounds may be provided in pharmaceutically acceptable compositions and used for the treatment of immunological or hyperproliferative disorders.

  本发明提供了具有以下一般式的新化合物I： 其中R1、R2、R3、X和Y如本文所述。因此，这些化合物可以在药学上可接受的组合物中提供，并用于治疗免疫或过度增生性疾病。
• THIAZOLES AS MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20160120850A1

  公开（公告）日：2016-05-05

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 7 , R 8 , and are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明涉及公式I的化合物，其中：R1，R2，R3，R4，R5，R7，R8和在本说明书中定义。本发明还涉及一种治疗或改善综合症、失调或疾病的方法，其中所述的综合症、失调或疾病是类风湿性关节炎或牛皮癣。本发明还涉及通过给予至少一种权利要求1中的化合物的治疗有效量来调节哺乳动物中RORγt活性的方法。
• TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20160122336A1

  公开（公告）日：2016-05-05

  The present invention comprises compounds of Formula I. wherein: X, A 1 , A 2 , A 3 , A 4 , R 1 , R 2 , and R 3 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明涉及I式化合物，其中：X，A1，A2，A3，A4，R1，R2和R3在说明书中有定义。本发明还涉及一种治疗或改善综合症、障碍或疾病的方法，其中所述的综合症、障碍或疾病是类风湿性关节炎或银屑病。本发明还涉及一种通过给哺乳动物投予至少一种权利要求1中的化合物的治疗有效量来调节RORγt活性的方法。