3-bromo-6-hydroxy-5-isopropyl-2-methyl-benzoic acid | 142350-18-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-bromo-6-hydroxy-5-isopropyl-2-methyl-benzoic acid
• 英文别名: 3-Brom-6-hydroxy-5-isopropyl-2-methyl-benzoesaeure；5-bromo-3-isopropyl-6-methylsalicylic acid；3-Isopropyl-5-bromo-6-methylsalicylic acid；5-bromo-2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid
• CAS: 142350-18-3
• 化学式: C₁₁H₁₃BrO₃
• 分子量: 273.126
• InChiKey: OBKMVXFPYABXGF-UHFFFAOYSA-N

物化性质

• 沸点：
  361.6±42.0 °C(Predicted)
• 密度：
  1.493±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-bromo-6-hydroxy-5-isopropyl-2-methyl-benzoic acid 在 三氯氧磷 作用下， 反应 2.0h， 以49%的产率得到
  参考文献：
  名称：

  Halogenated analogs of tri-O-thymotide (TOT) and tri-3-(2-butyl)-6-methylsalicylide (TSBS): synthesis and clathration studies.

  摘要：

  Halogenated trisalicylide derivatives 1-6, representing three-fold symmetric C3 "homo trimers" as well as dissymmetric C1 "mixed trimers" have been synthesized. Clathration studies indicate that these halogenated TOT analogs do not form clathrates. Reductive removal of the halogen was demonstrated for analog 2, providing a new entry to TOT-based host molecules.

  DOI：

  10.1016/s0040-4039(00)78886-1
• 作为产物：
  描述：

  2-羟基-3-异丙基-6-甲基苯甲酸 在 溴 、 溶剂黄146 作用下， 生成 3-bromo-6-hydroxy-5-isopropyl-2-methyl-benzoic acid
  参考文献：
  名称：

  Sondern, 1940, vol. 11, p. 28,31

  摘要：

  DOI：

文献信息

• Chemical uncouplers for the treatment of obesity
  申请人：——

  公开号：US20040138301A1

  公开（公告）日：2004-07-15

  This invention relates to chemical uncouplers with a broader safety window making the use of them in treating obesity and, consequently, in the treatment of obesity related diseases and conditions such as atherosclerosis, hypertension, diabetes, especially type 2 diabetes (NIDDM (non-insulin dependent diabetes mellitus)), impaired glucose tolerance, dyslipidemia, coronary heart disease, gallbladder disease, osteoarthritis and various types of cancer such as endometrial, breast, prostate and colon cancers and the risk for premature death as well as other conditions, such as diseases and disorders, which conditions are improved by an increase in mitochondrial respiration, more attractive.

  这项发明涉及一种化学解偶联剂，它具有更宽的安全窗口，使其在治疗肥胖症以及因此引发的相关疾病和状况，如动脉硬化、高血压、糖尿病（尤其是2型糖尿病（非胰岛素依赖型糖尿病））、葡萄糖耐量受损、血脂异常、冠心病、胆结石病、骨关节炎以及子宫内膜、乳房、前列腺和结肠等各种癌症以及过早死亡的风险等方面更具吸引力。此外，还包括其他通过增加线粒体呼吸得到改善的条件、疾病和紊乱。
• HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES
  申请人：Olesen Preben Houlberg

  公开号：US20100041657A1

  公开（公告）日：2010-02-18

  The present invention relates to compounds of formula I, in which at least one of R5, R6 and R7 is SR12, S(O)R12 or S(O)2R12 group where R12 is a C1-6haloalkyl group, that act, as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or conditions associated therewith.

  本发明涉及公式I的化合物，其中R5，R6和R7中至少有一个是SR12，S（O）R12或S（O）2R12基团，其中R12是C1-6卤代烷基基团，可作为化学解偶联剂。本发明的化合物在治疗，包括预防肥胖症，糖尿病以及与之相关的许多疾病或病况方面非常有用。
• Sondern, 1940, vol. 11, p. 28,31
  作者：Sondern

  DOI：——

  日期：——
• SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY
  申请人：NOVO NORDISK A/S

  公开号：EP1575575A2

  公开（公告）日：2005-09-21
• [EN] SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY<br/>[FR] DECOUPLEURS CHIMIQUES SURS POUR LE TRAITEMENT DE L'OBESITE
  申请人：NOVO NORDISK AS

  公开号：WO2004041256A2

  公开（公告）日：2004-05-21

  This invention relates to chemical uncouplers with a broader safety window making the use of them in treating obesity and, consequently, in the treatment of obesity related dis-eases and conditions such as atherosclerosis, hypertension, diabetes, especially type 2 dia-betes (NIDDM (non-insulin dependent diabetes mellitus)), impaired glucose tolerance, dyslip-idemia, coronary heart disease, gallbladder disease, osteoarthritis and various types of can-cer such as endometrial, breast, prostate and colon cancers and the risk for premature death as well as other conditions, such as diseases and disorders, which conditions are improved by an increase in mitochondrial respiration, more attractive.