N-[2-[(5-氯-2-甲氧基苯基)羰基]-4-(三氟甲基)苯基]氨基羧酸,1,1-二甲基乙基酯 | 221113-30-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-[2-[(5-氯-2-甲氧基苯基)羰基]-4-(三氟甲基)苯基]氨基羧酸,1,1-二甲基乙基酯
• 英文名称: N-[2-[(5-chloro-2-methoxyphenyl) carbonyl]-4-(trifluoromethyl) phenyl]aminocarboxylic acid, 1,1-dimethylethyl ester
• 英文别名: tert-butyl N-[2-(5-chloro-2-methoxybenzoyl)-4-(trifluoromethyl)phenyl]carbamate
• CAS: 221113-30-0
• 化学式: C₂₀H₁₉ClF₃NO₄
• 分子量: 429.823
• InChiKey: HVTYPFSEQJTCFO-UHFFFAOYSA-N

物化性质

• 沸点：
  507.7±50.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-[2-[(5-氯-2-甲氧基苯基)羰基]-4-(三氟甲基)苯基]氨基羧酸,1,1-二甲基乙基酯 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 (2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection

  摘要：

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00240-8
• 作为产物：
  描述：

  5-氯-2-甲氧基苯甲酸甲酯 、 4-(三氟甲基)苯基氨基甲酸叔丁酯 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 N-[2-[(5-氯-2-甲氧基苯基)羰基]-4-(三氟甲基)苯基]氨基羧酸,1,1-二甲基乙基酯
  参考文献：
  名称：

  The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection

  摘要：

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00240-8

文献信息

• US6184231
  申请人：——

  公开号：——

  公开（公告）日：——
• US06184231B2
  申请人：——

  公开号：——

  公开（公告）日：——
• The synthesis and structure–activity relationships of 4-aryl-3-aminoquinolin-2-ones: a new class of calcium-Dependent, large conductance, potassium (maxi-K) channel openers targeted for post-stroke neuroprotection
  作者：Piyasena Hewawasam、Wenhong Fan、Jay Knipe、Sandra L Moon、Christopher G Boissard、Valentin K Gribkoff、John E Starrett

  DOI：10.1016/s0960-894x(02)00240-8

  日期：2002.7

  A series of 4-aryl-3-aminoquinoline-2-one derivatives was synthesized and evaluated as activators of the cloned maxi-K channel mSlo (hSlo) expressed in Xenopus laevis oocytes using electrophysiological methods. A brain penetrable activator of maxi-K channels was identified and shown to be significantly active in the MCAO model of stroke. (C) 2002 Elsevier Science Ltd. All rights reserved.