2-溴-5-甲基-己酸 | 56256-78-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-溴-5-甲基-己酸
• 英文名称: 2-bromo-5-methyl-hexanoic acid
• 英文别名: 2-Brom-5-methyl-hexansaeure；2-Brom-5-methylhexansaeure；2-Bromo-5-methylhexanoic acid
• CAS: 56256-78-1
• 化学式: C₇H₁₃BrO₂
• 分子量: 209.083
• InChiKey: HZEKQLIVUNAHRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  257.7±13.0 °C(Predicted)
• 密度：
  1.369±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  2-溴-5-甲基-己酸 在 ammonium hydroxide 作用下， 反应 168.0h， 生成 2-acetamido-5-methylhexanoic acid
  参考文献：
  名称：

  血管紧张素转化酶抑制剂的研究。4.3-酰基-1-烷基-2-氧代咪唑烷-4-羧酸衍生物的合成和血管紧张素转化酶抑制活性。

  摘要：

  通过两种方法制备（4S）-1-烷基-3-[[[N-（羧烷基）氨基]酰基] -2-氧代咪唑烷-4-羧酸衍生物（3）。评估了它们对血管紧张素转化酶（ACE）的抑制活性和降压作用，并讨论了它们之间的构效关系。具有S，S，S构型的二元羧酸3a-n显示出有效的体外ACE抑制活性，IC50值为1.1 X 10（-8）-1.5 X 10（-9）M.在该系列中最有效的化合物是单酯3p，ID50值为0.24 mg / kg，在正常血压大鼠中抑制血管紧张素I诱导的升压反应，在剂量为1-10 mg / kg时自发性高血压大鼠（SHRs）的收缩压呈剂量依赖性降低。公斤，磅

  DOI：

  10.1021/jm00122a003
• 作为产物：
  描述：

  异戊基丙二酸二乙酯 在 氢氧化钾 作用下， 生成 2-溴-5-甲基-己酸
  参考文献：
  名称：

  Continuous nicardipine infusion to control blood pressure after evacuation of acute cerebral hemorrhage

  摘要：

  Purpose: To explore the long-term effects of the calcium antagonist, nicardipine, on cerebral hemodynamic in patients with acute cerebral hemorrhage, we investigated the effects of nicardipine infusion on intracranial pressure (ICP), middle cerebral arterial blood flow velocity (Vmca), and computed tomographical (CT) findings of bleeding and edema.Methods: Twenty-two patients with acute cerebral hemorrhage were infused with nicardipine for > 72 hr to decrease blood pressure. Blood pressure, heart rate, conscious level, Vmca, pulsatility index (PI, using transcranial Doppler), ICP, cerebral perfusion pressure (CPP) and platelet counts were monitored. CT examination was also performed to detect the changes of bleeding (hematoma) and/or brain edema.Results: Blood pressure decreased (20 to 30% from control, P < 0.05) without any changes in heart rate. Platelet count did not change neither did Vmca and PI change on either the intact or injured side. The ICP decreased 24 hr after the end of infusion from 30 +/- 12 mmHg to 20 +/- 9 mmHg (P = 0.036) but was still higher than normal. The CPP decreased at 24 hr (75 +/- 14 mmHg, P = 0.026) and 72 hr (73 +/- 15 mmHg, P = 0.024) from the baseline (99 +/- 17 mmHg). Conscious level improved but not significantly and CT findings did not show any exacerbation in bleeding or edema.Conclusion: In patients with acute cerebral hemorrhage, nicardipine infusion to decrease blood pressure by 20 to 30% had no effect on Vmca, ICP cerebral bleeding and edema, but decreased CPP.

  DOI：

  10.1007/bf03019868

文献信息

• Inhibiting human integrin (alpha-4) (beta-7)
  申请人：Morphic Therapeutic, Inc.

  公开号：US11370773B1

  公开（公告）日：2022-06-28

  Disclosed are small molecule antagonists of human α4β7 integrin, and methods of using them to treat a number of diseases and conditions.

  所公开的是人类 α4β7 整合素的小分子拮抗剂，以及用它们治疗多种疾病和病症的方法。
• Archer et al., Journal of the American Pharmaceutical Association (1912), 1951, vol. 40, p. 143,144, 149
  作者：Archer et al.

  DOI：——

  日期：——
• STAELLBERG G., CHEM. SCRIPTA <CSRP-B9>, 1975, 7, NO 1, 31-41
  作者：STAELLBERG G.

  DOI：——

  日期：——
• [EN] INHIBITING HUMAN INTEGRIN α4β7<br/>[FR] INHIBITION DE L'INTÉGRINE HUMAINE α4β7
  申请人：MORPHIC THERAPEUTIC INC

  公开号：WO2021076890A1

  公开（公告）日：2021-04-22

  Disclosed are small molecule antagonists of human α4β7 integrin, and methods of using them to treat a number of diseases and conditions.
• [EN] INHIBITING HUMAN INTEGRIN α 4 β 7<br/>[FR] INHIBITION DE L'INTÉGRINE α 4 β 7 HUMAINE
  申请人：MORPHIC THERAPEUTIC INC

  公开号：WO2021076902A1

  公开（公告）日：2021-04-22

  Disclosed are small molecule antagonists of human α4β 7 integrin, and methods of using them to treat a number of diseases and conditions.