2,3-dihydro-indole-1-carboxylic acid methylamide | 61589-19-3

• 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: 2,3-dihydro-indole-1-carboxylic acid methylamide
• 英文别名: N-methylindoline-1-carboxamide；N-(Methylcarbamoyl)-indolin；N-Methyl-2,3-dihydro-1H-indole-1-carboxamide；N-methyl-2,3-dihydroindole-1-carboxamide
• CAS: 61589-19-3
• 化学式: C₁₀H₁₂N₂O
• mdl: MFCD24389295
• 分子量: 176.218
• InChiKey: XMNVVFCOWXNCOH-UHFFFAOYSA-N

物化性质

• 沸点：
  375.9±25.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-dihydro-indole-1-carboxylic acid methylamide 在 吡啶 、 氯磺酸 、 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-2,3-dihydro-indole-1-carboxylic acid dimethylamide
  参考文献：
  名称：

  Potent, selective human β3 adrenergic receptor agonists containing a substituted indoline-5-sulfonamide pharmacophore

  摘要：

  A series of compounds possessing an N-substituted indoline-5-sulfonamide pharmacophore was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. The SAR of a wide range of urea and heterocyclic substituents is discussed. 4-Octyl thiazole compound 8c was the most potent and selective compound in the series, with 2800-fold selectivity over beta(1) binding and 1400-fold selectivity over beta(2) binding (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00277-2
• 作为产物：
  描述：

  吲哚啉 、 异氰酸甲酯 以 二氯甲烷 为溶剂， 生成 2,3-dihydro-indole-1-carboxylic acid methylamide
  参考文献：
  名称：

  Potent, selective human β3 adrenergic receptor agonists containing a substituted indoline-5-sulfonamide pharmacophore

  摘要：

  A series of compounds possessing an N-substituted indoline-5-sulfonamide pharmacophore was prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. The SAR of a wide range of urea and heterocyclic substituents is discussed. 4-Octyl thiazole compound 8c was the most potent and selective compound in the series, with 2800-fold selectivity over beta(1) binding and 1400-fold selectivity over beta(2) binding (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00277-2

文献信息

• [EN] PI3K-α INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PI3K-α ET PROCÉDÉ D'UTILISATION DE CEUX-CI
  申请人：RELAY THERAPEUTICS INC

  公开号：WO2021222556A1

  公开（公告）日：2021-11-04

  The present disclosure relates to novel compounds and pharmaceutical compositions thereof, and methods for inhibiting the activity of PI3K-α enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with PI3K-α signaling with the compounds and compositions of the disclosure.

  本公开涉及新颖化合物及其制药组合物，以及利用本公开的化合物和组合物抑制PI3K-α酶活性的方法。本公开进一步涉及但不限于利用本公开的化合物和组合物治疗与PI3K-α信号相关的疾病的方法。
• Control of unwanted vegetation with N-carbamylindolines
  申请人：Gulf Oil Corporation

  公开号：US04428881A1

  公开（公告）日：1984-01-31

  New N-carbamylindolines which are useful in combating unwanted vegetation by both pre-emergent and post-emergent application are compounds having the structural formula ##STR1## in which R and R.sup.3 are hydrogen or methyl, R.sup.1 is hydrogen or N,N-dimethylsulfamyl, N,N-diethylsulfamyl, N-methoxy-N-methyl-sulfamyl, bromo or chloro, X is hydrogen or fluoro and R.sup.2 is hydrogen or dimethylsulfamyl, with the provision that at least one and no more than two substituents represented by R.sup.1, R.sup.2, and R.sup.3 and X are present.

  新的N-氨基吲哚类化合物可用于通过前期和后期施用来对抗不受欢迎的植被，其结构式为##STR1##其中R和R.sup.3为氢或甲基，R.sup.1为氢或N，N-二甲基磺酰胺基，N，N-二乙基磺酰胺基，N-甲氧基-N-甲基磺酰胺基，溴或氯，X为氢或氟，R.sup.2为氢或二甲基磺酰胺基，但至少一个且不超过两个由R.sup.1，R.sup.2和R.sup.3以及X表示的取代基存在。
• HEDRICH, L. W.;NEIGHBORS, R. P.
  作者：HEDRICH, L. W.、NEIGHBORS, R. P.

  DOI：——

  日期：——
• Benzoaxazine derivatives and herbicidal composition
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0196570B1

  公开（公告）日：1990-06-13
• US4428881A
  申请人：——

  公开号：US4428881A

  公开（公告）日：1984-01-31