4-Pivaloyl-benzoesaeure | 32018-31-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Pivaloyl-benzoesaeure
• 英文别名: 4-pivaloyl-benzoic acid；4-(2,2-Dimethylpropanoyl)benzoic acid
• CAS: 32018-31-8
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: NNZDOYSFYZZHFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Pivaloyl-benzoesaeure 在 ammonium hydroxide 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 2.5h， 生成 4-(2,2-dimethyl-1-oxopropyl)-benzamide
  参考文献：
  名称：

  Hypoglycemic Prodrugs of 4-(2,2-Dimethyl-1-oxopropyl)benzoic Acid

  摘要：

  SAH 51-641 (1) is a potent hypoglycemic agent, which acts by inhibiting hepatic gluconeogenesis. It is a prodrug of 4-(2,2-dimethyl-1-oxopropyl)benzoic acid (2) and 4-(2,2-dimethyl-1-hydroxy propyl)benzoic acid (3), which sequester coenzyme A (CoA) in the mitochondria, and inhibits medium-chain acyltransferase. 1-3 and 4-tert-butylbenzoic acid all cause testicular degeneration in rats at pharmacologically active doses. 14b (FOX 988) is a prodrug of 3, which is metabolized in the liver at a rate sufficient enough to have hypoglycemic potency (an ED50 of 65 mu mol/kg, 28 mg/kg/day, for glucose lowering), yet by avoiding significant escape of the metabolite 3 to the systemic circulation, it avoids the testicular toxicity at doses up to 1500 mu mol/kg/day. 14b was selected for clinical studies.

  DOI：

  10.1021/jm980438y
• 作为产物：
  描述：

  4-甲基氯苄 在 potassium permanganate 作用下， 以 叔丁醇 为溶剂， 生成 4-Pivaloyl-benzoesaeure
  参考文献：
  名称：

  新戊基衍生物的化学：I.苄基格氏试剂与叔丁基卤化物的反应性。新戊基苯甲酸的合成及热力学解离常数

  摘要：

  苄基卤化镁与叔丁基卤的反应除生成新戊基苯外，还生成邻位和对叔丁基甲苯。已经研究了（i）两种反应物中都存在的卤原子，（ii）所用镁的纯度，（iii）进行反应的溶剂和（iv）取代基中的取代基的影响。格氏试剂的芳环。还研究了叔丁基氯化镁与4-烷基苄基氯的反应。

  DOI：

  10.1016/s0040-4020(01)92843-1

文献信息

• PYRROLIDINYL SULFONE RORGAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150191483A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱困扰的主体中是有用的，例如，主体将从调节RORγ活性中获益的自免疫和/或炎症紊乱。
• GLUCAGON RECEPTOR MODULATORS
  申请人：Aspnes Gary Erik

  公开号：US20120202834A1

  公开（公告）日：2012-08-09

  The present invention provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 , R 3 , A 1 , A 2 , A 3 , A 4 , L, B 1 , B 2 , B 3 and B 4 are as defined herein. The compounds of Formula I have been found to act as glucagon antagonists or inverse agonists. Consequently, the compounds of Formula I and the pharmaceutical compositions thereof are useful for the treatment of diseases, disorders, or conditions mediated by glucagon.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，其中R1、R2、R3、A1、A2、A3、A4、L、B1、B2、B3和B4如本文所定义。已发现式I的化合物可作为葡萄糖胰高血糖素拮抗剂或逆向激动剂。因此，式I的化合物及其药物组成物对于治疗由葡萄糖胰高血糖素介导的疾病、紊乱或症状是有用的。
• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE
  申请人：DEVGEN NV

  公开号：WO2005082367A1

  公开（公告）日：2005-09-09

  The invention provides the use of a compound or a composition comprising said compound for inhibiting the activity of at least one kinase, other than ROCK kinase, in vitro or in vivo, pharmaceutical and/or veterinary compositions comprising such compounds, medical and veterinary uses of such compounds and the compounds themselves.

  该发明提供了一种化合物或含有该化合物的组合物用于抑制体外或体内至少一种激酶（除ROCK激酶外）的活性，包括这些化合物的药用和/或兽医学组合物，这些化合物的医药和兽医用途以及化合物本身。
• Benzoic acid derivatives as antidiabetic agents
  申请人：Sandoz Ltd.

  公开号：US05378728A1

  公开（公告）日：1995-01-03

  Compound of the formula ##STR1## where R is CH.sub.3 (CH.sub.2).sub.m, A and B are hydrogen, a bond or --(CH.sub.2).sub.n, X is ##STR2## m is 0, 1 , 2 or 3, n is 1 , 2, or 3, R.sub.1 is hydrogen or lower alkyl, and Y is --OH, --OR.sub.2 or --NR.sub.3 R.sub.4 where R.sub.2, R.sub.3 and R.sub.4 are hydrogen or unsubstituted or substituted alkyl, aryl and aralkyl substituents.

  化合物的公式为##STR1##其中R为CH.sub.3(CH.sub.2).sub.m，A和B为氢、一个键或--(CH.sub.2).sub.n，X为##STR2##m为0、1、2或3，n为1、2或3，R.sub.1为氢或较低的烷基，Y为--OH、--OR.sub.2或--NR.sub.3R.sub.4，其中R.sub.2、R.sub.3和R.sub.4为氢或未取代或取代的烷基、芳基和芳基烷基取代基。
• CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE
  申请人：Hammock D. Bruce

  公开号：US20070225283A1

  公开（公告）日：2007-09-27

  Inhibitors of the soluble epoxide hydrolase (sEH) are provided that incorporate multiple pharmacophores and are useful in the treatment of diseases.

  提供了可抑制可溶性环氧化物水解酶（sEH）的抑制剂，这些抑制剂结合了多种药效团，并且在治疗疾病方面具有用途。