4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid
• 化学式: C₁₆H₁₈O₃
• mdl: MFCD00075856
• 分子量: 258.317
• InChiKey: YJJOPFUDTMESJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.375
• 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-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid 在 钯 氢气 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以to provide (5 g, 100%) title compound的产率得到4-环己基-gamma-氧代-苯丁酸
  参考文献：
  名称：

  4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use

  摘要：

  公式I1的化合物在治疗由或减轻α1A激动剂预防的疾病方面非常有用。此外，还披露了α1A激动剂组合物和在哺乳动物体内激活α1肾上腺素能受体的方法。

  公开号：

  US20030073850A1
• 作为产物：
  描述：

  马来酸酐 、 环己基苯 在 aluminum (III) chloride 作用下， 以 1,1,2,2-四氯乙烷 为溶剂， 生成 4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid
  参考文献：
  名称：

  Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors

  摘要：

  A series of sulfonamide derivatives (2a-l) incorporating substituted pyridazinone moieties were investigated for the inhibition of two human cytosolic carbonic anhydrase isoforms, hCA I and hCA II. All these compounds, together with the clinically used sulfonamide acetazolamide were investigated as inhibitors of the physiologically relevant isozymes I and II. These sulfonamides showed very strong inhibition against all these isoforms with K-I's in the range of 0.98-8.5 nM which makes such molecules possible to be used as leads for discovery of novel effective CA inhibitors targeting other isoforms with medicinal chemistry applications. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.12.016

文献信息

• Design and synthesis of pyridazinone-substituted benzenesulphonylurea derivatives as anti-hyperglycaemic agents and inhibitors of aldose reductase – an enzyme embroiled in diabetic complications
  作者：Raed Yaseen、H. Pushpalatha、G. Bhanuprakash Reddy、Ameer Ismael、Ayad Ahmed、Alhamza Dheyaa、Syed Ovais、Pooja Rathore、Mohammed Samim、Mymoona Akthar、Kalicharan Sharma、Syed Shafi、Surender Singh、Kalim Javed

  DOI：10.3109/14756366.2016.1142986

  日期：2016.11.1

  vitro ability to inhibit rat lens aldose reductase. Ten compounds (III-VI, XII, XVI-XVIII, XXI and XXVII) showed ARI activity with IC50 ranging from 34 to 242 μM. Out of these, two compounds IV and V showed best ARI activity which is comparable with that of quercetin. As a result, two compounds (IV and V) possessing significant dual action (anti-hyperglycaemic and aldose reductase inhibition) were

  合成了三十种新的芳基-哒嗪酮取代的苯磺酰脲衍生物（I-XXX），并评价了在高血糖正常大鼠中的抗高血糖活性。与标准品相比，二十三种化合物（III-XI，XIV-XVII，XIX-XXIV，XXVI和XXVIII-XXX）的曲线下面积（AUC）减少百分比（从21.9％到35.5％）显示出更多或可比较的面积。药物格列齐特（22.0％）。根据对接结果，筛选了18种化合物在体外抑制大鼠晶状体醛糖还原酶的能力。十种化合物（III-VI，XII，XVI-XVIII，XXI和XXVII）显示ARI活性，IC50为34至242μM。其中，两种化合物IV和V显示出最佳的ARI活性，与槲皮素相当。因此，
• Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors
  作者：Raed Yaseen、Deniz Ekinci、Murat Senturk、Alhamzah Dh. Hameed、Syed Ovais、Pooja Rathore、Mohammed Samim、Kalim Javed、Claudiu T. Supuran

  DOI：10.1016/j.bmcl.2015.12.016

  日期：2016.2

  A series of sulfonamide derivatives (2a-l) incorporating substituted pyridazinone moieties were investigated for the inhibition of two human cytosolic carbonic anhydrase isoforms, hCA I and hCA II. All these compounds, together with the clinically used sulfonamide acetazolamide were investigated as inhibitors of the physiologically relevant isozymes I and II. These sulfonamides showed very strong inhibition against all these isoforms with K-I's in the range of 0.98-8.5 nM which makes such molecules possible to be used as leads for discovery of novel effective CA inhibitors targeting other isoforms with medicinal chemistry applications. (C) 2016 Elsevier Ltd. All rights reserved.
• 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use
  申请人：——

  公开号：US20030073850A1

  公开（公告）日：2003-04-17

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with &agr; 1A agonists. Also disclosed are &agr; 1A agonist compositions and a method of activating &agr; 1 adrenoceptors in a mammal.

  公式I1的化合物在治疗由或减轻α1A激动剂预防的疾病方面非常有用。此外，还披露了α1A激动剂组合物和在哺乳动物体内激活α1肾上腺素能受体的方法。