3-isopropyldihydrocinnamic acid methyl ester

• 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: 3-isopropyldihydrocinnamic acid methyl ester
• 英文别名: methyl 3-isopropyldihydrocinnamate；Methyl 3-(3-propan-2-ylphenyl)propanoate
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: UXHVOGIDKMCKCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丙烯酸甲酯（MA） 、 4-异丙基苯甲醛 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 manganese(III) triacetate dihydrate 、 双三氟甲烷磺酰亚胺银盐 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以55%的产率得到3-isopropyldihydrocinnamic acid methyl ester
  参考文献：
  名称：

  醛作为铑（III）在空气中催化的区域选择性CH烷基化反应的无痕导向基团。

  摘要：

  已经开发出芳香醛作为有氧大气条件下铑（III）催化的区域选择性CH烷基化的无痕导向基团。该方法涉及醛辅助的CH键直接加成到丙烯酸酯或丙烯酸的不饱和亲电子体上，以及随后的脱羰作用。发现痕量的水有利于该反应。

  DOI：

  10.1021/acs.orglett.9b04433

文献信息

• SOLUBLE GUANYLATE CYCLASE STIMULATORS
  申请人：Berger Raphaelle

  公开号：US20170174693A1

  公开（公告）日：2017-06-22

  The invention provides compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, Z, R 1 , R 2 , R 4 , R a , and the subscripts m, p, and q are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate (“cGMP”), and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose.

  该发明提供了Formula (I)的化合物或其药用盐，其中X、Y、Z、R1、R2、R4、Ra以及下标m、p和q如本文所述。这些化合物或其药用盐可以调节人体对环鸟苷酸单磷酸（“cGMP”）的产生，并通常适用于治疗和预防与扰乱的cGMP平衡相关的疾病。该发明还提供了包含Formula (I)的化合物或其药用盐的药物组合物。该发明还涉及使用这些化合物或其药用盐在治疗和预防上述疾病以及为此目的制备药物的方法。
• Soluble guanylate cyclase stimulators
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10030027B2

  公开（公告）日：2018-07-24

  The invention provides compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, Z, R1, R2, R4, Ra, and the subscripts m, p, and q are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate (“cGMP”), and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose.

  本发明提供了式（I）化合物 或其药学上可接受的盐，其中 X、Y、Z、R1、R2、R4、Ra 和下标 m、p 和 q 如本文所述。这些化合物或其药学上可接受的盐类可以调节人体产生的环磷酸鸟苷（"cGMP"），通常适用于治疗和预防与 cGMP 平衡紊乱有关的疾病。本发明还提供了包含式（I）化合物或其药学上可接受的盐的药物组合物。本发明还涉及将这些化合物或其药学上可接受的盐用于治疗和预防上述疾病的方法，以及为此目的制备药物的方法。
• Imidazolyl tricyclic enones as antioxidant inflammation modulators
  申请人：REATA PHARMACEUTICALS, INC.

  公开号：US11059792B2

  公开（公告）日：2021-07-13

  Disclosed herein are compounds of the formula: (I), wherein the variables are defined herein. Also provided are pharmaceutical compositions thereof. In some aspects, the compounds and compositions provided herein may be used as antioxidant inflammation modulators. In some aspects, the present disclosure provides methods wherein the compounds and composition described herein are used for the treatment of diseases and disorders associated with inflammation and cancer.

  本文公开了式 (I) 的化合物，其中的变量在本文中定义：(I)，其中的变量在此定义。还提供了其药物组合物。在某些方面，本文提供的化合物和组合物可用作抗氧化炎症调节剂。在某些方面，本公开提供了本文所述化合物和组合物用于治疗与炎症和癌症相关的疾病和失调的方法。
• IMIDAZOLYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS
  申请人：Reata Pharmaceuticals, Inc.

  公开号：EP3256451B1

  公开（公告）日：2021-10-20
• [EN] IMIDAZOLYL TRICYCLIC ENONES AS ANTIOXIDANT IFLAMMATION MODULATORS<br/>[FR] ÉNONES TRICYCLIQUES D'IMIDAZOLYLE COMME MODULATEURS ANTIOXYDANTS DE L'INFLAMMATION
  申请人：REATA PHARMACEUTICALS INC

  公开号：WO2016130927A1

  公开（公告）日：2016-08-18

  Disclosed herein are compounds of the formula: (I), wherein the variables are defined herein. Also provided are pharmaceutical compositions thereof. In some aspects, the compounds and compositions provided herein may be used as antioxidant inflammation modulators. In some aspects, the present disclosure provides methods wherein the compounds and composition described herein are used for the treatment of diseases and disorders associated with inflammation and cancer.