(S)-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid {2-[(2-cyanopyrrolidin-1-yl)-2-oxoethylamino]-2-methylpropyl}amide hydrochloride | 1359669-36-5

• 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: (S)-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid {2-[(2-cyanopyrrolidin-1-yl)-2-oxoethylamino]-2-methylpropyl}amide hydrochloride
• 英文别名: 2-tert-butyl-N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
• CAS: 1359669-36-5
• 化学式: C₂₃H₃₃N₇O₂*ClH
• 分子量: 476.022
• InChiKey: NZILINNYLMUKCX-NTISSMGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2S)-1-[[(2-氨基-1,1-二甲基乙基)氨基]乙酰基]-2-吡咯烷甲腈 、 在 三乙胺 、 盐酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 0.17h， 生成 (S)-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid {2-[(2-cyanopyrrolidin-1-yl)-2-oxoethylamino]-2-methylpropyl}amide hydrochloride
  参考文献：
  名称：

  Discovery and pharmacological characterization of N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride (anagliptin hydrochloride salt) as a potent and selective DPP-IV inhibitor

  摘要：

  In the course of our program for discovery of novel DPP-IV inhibitors, a series of pyrazolo[1,5-a]pyrimidines were found to be novel DPP-IV inhibitors. We identified N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride (4a) and described its pharmacological profiles. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.09.043

文献信息

• Discovery and pharmacological characterization of N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride (anagliptin hydrochloride salt) as a potent and selective DPP-IV inhibitor
  作者：Noriyasu Kato、Mitsuru Oka、Takayo Murase、Masahiro Yoshida、Masao Sakairi、Satoko Yamashita、Yoshika Yasuda、Aya Yoshikawa、Yuuji Hayashi、Mitsuhiro Makino、Motohiro Takeda、Yakufu Mirensha、Takuji Kakigami

  DOI：10.1016/j.bmc.2011.09.043

  日期：2011.12

  In the course of our program for discovery of novel DPP-IV inhibitors, a series of pyrazolo[1,5-a]pyrimidines were found to be novel DPP-IV inhibitors. We identified N-[2-(2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide hydrochloride (4a) and described its pharmacological profiles. (C) 2011 Elsevier Ltd. All rights reserved.