1-{2-[(2S)-2-aminopropanoyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1142814-58-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-{2-[(2S)-2-aminopropanoyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
• 英文别名: 2-[2-[(2S)-2-aminopropanoyl]-1,3-dihydroisoindol-4-yl]-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
• CAS: 1142814-58-1
• 化学式: C₂₄H₂₄F₃N₅O₃
• 分子量: 487.481
• InChiKey: OTELFDIPNLPDHY-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以45%的产率得到1-{2-[(2S)-2-aminopropanoyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1)

  摘要：

  A series of N-benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides targeting co-activator associated arginine methyltransferase 1 (CARM1) have been designed and synthesized. The potency of these inhibitors was influenced by the nature of the heteroaryl fragment with the thiophene analogues being superior to thiazole, pyridine, isoindoline and benzofuran based inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.075

文献信息

• N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1)
  作者：Martin Allan、Sukhdev Manku、Eric Therrien、Natalie Nguyen、Sylvia Styhler、Marie-France Robert、Anne-Christine Goulet、Andrea J. Petschner、Gabi Rahil、A. Robert MacLeod、Robert Déziel、Jeffrey M. Besterman、Hannah Nguyen、Amal Wahhab

  DOI：10.1016/j.bmcl.2008.12.075

  日期：2009.2

  A series of N-benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides targeting co-activator associated arginine methyltransferase 1 (CARM1) have been designed and synthesized. The potency of these inhibitors was influenced by the nature of the heteroaryl fragment with the thiophene analogues being superior to thiazole, pyridine, isoindoline and benzofuran based inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.