4-benzylthiophene-2-carbaldehyde | 79757-71-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzylthiophene-2-carbaldehyde
• CAS: 79757-71-4
• 化学式: C₁₂H₁₀OS
• 分子量: 202.277
• InChiKey: MINZXMBNZNUSJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴甲苯 、 2-醛基噻吩-4-硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 以57%的产率得到4-benzylthiophene-2-carbaldehyde
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME
  [FR] COMPOSÉS HÉTÉROARYLE UTILES EN TANT QU'INHIBITEURS DE L'ENZYME D'ACTIVATION SUMO

  摘要：

  公开了公式(I)的化合物或其药物可接受的盐； 其中Y、Ra、Ra'、Rb、Rc、X1、X2、X3、Rd、Z1和Z2具有本文所述的值，并且星号位置表示的立体化学配置指示绝对立体化学。 根据本公开的化学实体可用作Sumo激活酶（SAE）的抑制剂。 进一步提供了包含本公开化合物的药物组合物以及使用该组合物治疗增殖性、炎症性、心血管和神经退行性疾病或病症的方法。

  公开号：

  WO2016004136A1

文献信息

• HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20200085821A1

  公开（公告）日：2020-03-19

  Disclosed are chemical entities which are compounds of formula (I): or pharmaceutically acceptable salts thereof; wherein Y, R a , R a ′, R b , R c , X 1 , X 2 , X 3 , R d , Z 1 , and Z 2 have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry. Chemical entities according to the disclosure can be useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular, and neurodegenerative diseases or disorders.

  本发明揭示了化学实体，其为式（I）的化合物或其药学上可接受的盐；其中Y、Ra、Ra′、Rb、Rc、X1、X2、X3、Rd、Z1和Z2具有所述的值，星号标记的立体化学构型表示绝对立体化学。根据本发明的化学实体可用作Sumo激活酶（SAE）的抑制剂。还提供了含有本发明化合物的制药组合物以及使用该组合物治疗增殖性、炎症性、心血管和神经退行性疾病或疾患的方法。
• Prostanoid compounds and their preparation and pharmaceutical formulations
  申请人：GLAXO GROUP LIMITED

  公开号：EP0032432A1

  公开（公告）日：1981-07-22

  Prostanoids are described of the formulae (and the salts thereof) in which: X is cis or trans - CH =CH- or CH2CH2\-; R' is C1-7 alkyl terminated by -COOR10 where R10 is H, C1-6 alkyl or aralkyl; Y is a saturated heterocyclic amino group; and R' is aralkyl (in which the aryl portion is substituted by alkylthio, alkylsulphinyl, alkylsulphonyl, alkanoylamino, aroylamino, phenalkyl, aminosulphonyl, alkanoylaminosulphonyl, phenylsulphonyl, nitro, tetrazolyl, substituted phenyl or thienyl), or thienylalkyl or furnylalkyl in which the ring may be substituted. These compounds inhibit blood platelet aggregation and have bronchodilatory action, and may be formulated for use as anti-asthmatics and antithrombotic agents.

  所述类固醇的化学式为 (及其盐类），其中 X 是顺式或反式 - CH =CH- 或 CH2CH2\-; R' 是以 -COOR10 封端的 C1-7 烷基，其中 R10 是 H、C1-6 烷基或芳烷基； Y 是饱和杂环氨基；以及 R'是芳烷基（其中芳基部分被烷硫基、烷基亚磺酰基、烷基磺酰基、烷酰氨基、芳基氨基、苯烷基、氨基磺酰基、烷酰氨基磺酰基、苯基磺酰基、硝基、四唑基、取代苯基或噻吩基取代），或噻吩基烷基或呋喃基烷基（其中环可能被取代）。 这些化合物可抑制血小板聚集，具有支气管扩张作用，可配制成抗哮喘药和抗血栓药。
• Heteroaryl compounds useful as inhibitors of sumo activating enzyme
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US10335410B2

  公开（公告）日：2019-07-02

  Disclosed are chemical entities which are compounds of formula (I): or pharmaceutically acceptable salts thereof; wherein Y, Ra, Ra′, Rb, Rc, X1, X2, X3, Rd, Z1, and Z2 have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry. Chemical entities according to the disclosure can be useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular, and neurodegenerative diseases or disorders.

  所公开的化学实体为式（I）化合物： 或其药学上可接受的盐；其中 Y、Ra、Ra′、Rb、Rc、X1、X2、X3、Rd、Z1 和 Z2 具有本文所述的值，星号位置描述的立体化学构型表示绝对立体化学。根据本公开的化学实体可用作苏木活化酶（SAE）的抑制剂。进一步提供了包含本公开化合物的药物组合物，以及使用该组合物治疗增殖性、炎症性、心血管和神经退行性疾病或紊乱的方法。
• Heteroaryl compounds useful as inhibitors of SUMO activating enzyme
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US10780090B2

  公开（公告）日：2020-09-22

  Disclosed are chemical entities which are compounds of formula (I): or pharmaceutically acceptable salts thereof; wherein Y, Ra, Ra′, Rb, Rc, X1, X2, X3, Rd, Z1, and Z2 have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry. Chemical entities according to the disclosure can be useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular, and neurodegenerative diseases or disorders.

  所公开的化学实体为式（I）化合物： 或其药学上可接受的盐；其中 Y、Ra、Ra′、Rb、Rc、X1、X2、X3、Rd、Z1 和 Z2 具有本文所述的值，星号位置描述的立体化学构型表示绝对立体化学。根据本公开的化学实体可用作苏木活化酶（SAE）的抑制剂。进一步提供了包含本公开化合物的药物组合物，以及使用该组合物治疗增殖性、炎症性、心血管和神经退行性疾病或紊乱的方法。
• Suzuki−Miyaura Cross-Coupling Reactions of Benzyl Halides with Potassium Aryltrifluoroborates
  作者：Gary A. Molander、Maxwell D. Elia

  DOI：10.1021/jo061699f

  日期：2006.11.1

  [GRAPHICS]The palladium-catalyzed cross-coupling of potassium aryltrifluoroborates with benzylic halides occurs in good yield with high functional group tolerance. The increased stability of potassium aryltrifluoroborates compared to other boron coupling partners makes this an effective route to functionalized methylene-linked biaryl systems.