3-isopropyl-1-methanesulfonyl-1H-indole | 1206901-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-isopropyl-1-methanesulfonyl-1H-indole
• 英文别名: 1-Methylsulfonyl-3-propan-2-ylindole
• CAS: 1206901-71-4
• 化学式: C₁₂H₁₅NO₂S
• 分子量: 237.323
• InChiKey: XZOSWTHETNVDCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-chlorophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide 在 cobalt(I) (1,5,8,12,15,19,22,26-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-6,13,20,27-tetraene-29,30,31,32-tetraylidene) iodide 、 对甲苯磺酸 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 34.0h， 以24%的产率得到3-isopropyl-1-methanesulfonyl-2,3-dihydro-1H-indole
  参考文献：
  名称：

  钴冠碳烯配合物的电子转移活性

  摘要：

  已经制备了新型钴（II）冠卡宾配合物12（II），并通过X射线晶体学对其进行了表征。在一个电子过程中，该络合物被还原为钴（I）络合物，该钴（I）络合物充当了强大的单电子给体，还原了包括芳基氯在内的芳基卤化物，并证明了对冠卡宾配体的钴具有很强的电子富集作用。金属离子通过其包封的冠状配体紧密地保持在四面体构象中，从而避免了在标准电化学条件下原本易于氧化为钴（III）的现象。综合大楼12在室温下芳族碘化物和在90°C下芳基溴化物的介导电化学还原反应中，苯甲酰胺被证明是一种有效的催化剂。电化学生产的催化剂[由添加的10 mol％的Co（II）配合物]也触发了芳基氯化物的还原，尽管这似乎限制了其反应性。但是，当用汞齐钠还原钴（II）配合物时，可以提供化学计量的活性钴还原剂，可以如上所述还原芳基碘化物和溴化物，但在升高的温度下也可以还原芳基氯化物。

  DOI：

  10.1016/j.tet.2009.10.090

文献信息

• Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US10179784B2

  公开（公告）日：2019-01-15

  The present invention disclosed a class of pyrimidine or pyridine compounds, pharmaceutically acceptable salts, stereoisomers, prodrugs and solvates thereof, preparation method therefor and pharmaceutical compositions and pharmaceutical uses thereof. See e.g., Formula I below. The compounds can inhibit the variants of EGFR (Epidermis Growth Factor Receptor) proteinases, and therefore can inhibit the growth of a variety of tumor cells effectively. The compounds can be used to prepare antitumor drugs, used for the treatment, combined therapy or prevention of various different cancers. The compounds can overcome the drug resistance induced by the existing first-generation EGFR inhibitors such as gefitinib, erlotinib and so on. Particularly, the compounds can be used to prepare drugs for treating or preventing diseases, disturbances, disorders or conditions mediated by epidermis growth factor receptor variants (such as L858R activated mutants, Exon19 deletion activated mutants and T790M resistant mutants).

  本发明公开了一类嘧啶或吡啶化合物、其药学上可接受的盐、立体异构体、原药和溶液剂、其制备方法和药物组合物及其药物用途。参见下文式 I。这些化合物可以抑制表皮生长因子受体蛋白酶的变体，因此可以有效抑制多种肿瘤细胞的生长。这些化合物可用于制备抗肿瘤药物，用于治疗、联合治疗或预防各种不同的癌症。这些化合物可以克服现有的第一代表皮生长因子受体抑制剂（如吉非替尼、厄洛替尼等）引起的耐药性。特别是，这些化合物可用于制备治疗或预防由表皮生长因子受体变体（如 L858R 激活突变体、Exon19 缺失激活突变体和 T790M 耐药突变体）介导的疾病、紊乱、失调或病症的药物。
• MODULATORS OF CELLULAR ADHESION
  申请人：Shen Wang

  公开号：US20080182839A1

  公开（公告）日：2008-07-31

  The present invention provides compounds having formula (I): and pharmaceutically acceptable derivatives thereof; wherein R 1 -R 4 , n, p, A, B, D, E, L and AR 1 are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof; and methods for the use thereof for the treatment of disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1).
• PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF
  申请人：INVENTISBIO SHANGHAI LTD.

  公开号：US20170355696A1

  公开（公告）日：2017-12-14

  The present invention disclosed a class of pyrimidine or pyridine compounds, pharmaceutically acceptable salts, stereoisomers, prodrugs and solvates thereof, preparation method therefor and pharmaceutical compositions and pharmaceutical uses thereof. The compounds can inhibit the variants of EGFR (Epidermis Growth Factor Receptor) proteinases, and therefore can inhibit the growth of a variety of tumor cells effectively. The compounds can be used to prepare antitumor drugs, used for the treatment, combined therapy or prevention of various different cancers. The compounds can overcome the drug resistance induced by the existing first-generation EGFR inhibitors such as gefitinib, erlotinib and so on. Particularly, the compounds can be used to prepare drugs for treating or preventing diseases, disturbances, disorders or conditions mediated by epidermis growth factor receptor variants (such as L858R activated mutants, Exon19 deletion activated mutants and T790M resistant mutants).
• US7314938B2
  申请人：——

  公开号：US7314938B2

  公开（公告）日：2008-01-01
• US7790743B2
  申请人：——

  公开号：US7790743B2

  公开（公告）日：2010-09-07