α-bromo-cyclohexaneacetic acid | 5428-00-2

• 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: α-bromo-cyclohexaneacetic acid
• 英文别名: 2-bromocyclohexylacetic acid；2-bromo cyclohexyl acetic acid；bromo-cyclohexyl-acetic acid；Brom-cyclohexyl-essigsaeure；α-Brom-cyclohexyl-essigsaeure；α-Brom-cyclohexanessigsaeure；2-Bromo-2-cyclohexylacetic acid
• CAS: 5428-00-2
• 化学式: C₈H₁₃BrO₂
• 分子量: 221.094
• InChiKey: HQZXUBBDWRDPCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-bromo-cyclohexaneacetic acid 在 硫酸 、 三乙胺 作用下， 以 氯仿 为溶剂， 生成 ethyl cyclohexyl [4-(hydroxyphenyl)sulfanyl]acetate
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of 4-alkynyloxy Phenyl Sulfanyl, Sulfinyl, and Sulfonyl Alkyl Hydroxamates as Tumor Necrosis Factor-α Converting Enzyme and Matrix Metalloproteinase Inhibitors

  摘要：

  A series of 4-alkynyloxy phenyl sulfanyl, sulfinyl and sulfony alkyl and piperidine-4-carboxylic acid hydroxamides were synthesized. Their structure-activity relationships, against tumor necrosis factor-alpha (TACE) and matrix metalloproteinase (NIMP) inhibitor activities, are presented by investigating the oxidation state on sulfur and altering the P1' substituent. The sulfonyl derivatives 20-24 carrying a 4-butynyloxy moiety were selective TACE inhibitors over the MMPs tested. The sulfinyl derivatives showed a preference for a specific oxidation on sulfur as in compounds 25-28. The selectivity over MMPs was also demonstrated in the sulfonyl series. The enhanced cellular activity was achieved upon incorporating a butynyloxy substituent in the piperidene series. Compounds 64 and 65 were potent inhibitors of TNF-alpha release in the mouse at 100 mg/kg po.

  DOI：

  10.1021/jm040086x
• 作为产物：
  描述：

  环己基乙酸 在 磷化氢 、 溴 作用下， 以 四氯化碳 为溶剂， 以21%的产率得到α-bromo-cyclohexaneacetic acid
  参考文献：
  名称：

  Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors

  摘要：

  该公式的化合物可用于治疗由TNF-α介导的疾病状况，例如类风湿性关节炎、骨关节炎、脓毒症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和退化性软骨丧失。

  公开号：

  US06340691B1

文献信息

• Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors
  申请人：American Cyanamid Company

  公开号：US06340691B1

  公开（公告）日：2002-01-22

  Compounds of the formula are useful in treating disease conditions mediated by TNF-&agr;, such as rheumatoid arthritis, osteoarthritis, sepsis, AIDS, ulcerative colitis, multiple sclerosis, Crohn's disease and degenerative cartilage loss.

  该公式的化合物可用于治疗由TNF-α介导的疾病状况，例如类风湿性关节炎、骨关节炎、脓毒症、艾滋病、溃疡性结肠炎、多发性硬化症、克罗恩病和退化性软骨丧失。
• [EN] GROWTH HORMONE SECRETAGOGUES<br/>[FR] SECRETAGOGUES D'HORMONE DE CROISSANCE
  申请人：ELI LILLY AND COMPANY

  公开号：WO1999008699A1

  公开（公告）日：1999-02-25

  (EN) This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.(FR) Cette invention concerne de nouveaux composés utiles dans la modulation de niveaux d'hormone de croissance endogène chez un mammifère. L'invention concerne également de nouveaux intermédiaires utilisés dans la synthèse desdits composés, ainsi que de nouveaux procédés employés dans ces synthèses. L'invention concerne en outre des méthodes de traitement d'un mammifère consistant en l'administration desdits composés.

  该发明涉及一种新型化合物，其在哺乳动物内调节内源性生长激素水平方面具有用途。该发明还涉及用于合成所述化合物的新型中间体，以及用于这些合成中所采用的新型工艺。还包括包括给予所述化合物的行政方法的哺乳动物治疗方法。
• Growth Hormone secretagogues
  申请人：——

  公开号：US20040122234A1

  公开（公告）日：2004-06-24

  This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.

  本发明涉及一种新型化合物，该化合物在哺乳动物内调节内源性生长激素水平方面具有用途。本发明还涉及用于合成所述化合物的新型中间体，以及用于这些合成的新型过程。还包括包括给予所述化合物的治疗哺乳动物的方法。
• Melanocortin receptor agonists
  申请人：——

  公开号：US20040116699A1

  公开（公告）日：2004-06-17

  The present invention relates to melanocortin receptor agonist of the formula I useful in the treatment of obesity, diabetes, and male and/or female sexual dysfunction 1

  本发明涉及公式I的黑色素细胞激素受体激动剂，用于治疗肥胖症、糖尿病以及男性和/或女性性功能障碍。
• Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor
  申请人：Kenmoku Takashi

  公开号：US20080064828A1

  公开（公告）日：2008-03-13

  The invention is to provide a novel polyhydroxyalkanoate having a reactive function group within the molecule and a producing method therefor In a polyhydroxyalkanoate containing a unit having a vinyl group in a side chain, such vinyl group is utilized for deriving a polyhydroxyalkanoate comprising a carboxyl group or a unit having an amide group and a sulfonic acid group.

  本发明旨在提供一种新型聚羟基烷酸酯，其分子内具有反应性功能团，并提供其制备方法。在含有侧链中具有乙烯基团的聚羟基烷酸酯中，利用该乙烯基团来获得含有羧基或含有酰胺基和磺酸基的聚羟基烷酸酯。