1-Amino-4,4-dimethyl-pentan-2-one; hydrochloride | 113697-91-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Amino-4,4-dimethyl-pentan-2-one; hydrochloride
• 英文别名: 1-Amino-4,4-dimethylpentan-2-one, hydrochloride；1-amino-4,4-dimethylpentan-2-one;hydrochloride
• CAS: 113697-91-9
• 化学式: C₇H₁₅NO*ClH
• 分子量: 165.663
• InChiKey: JFBUXTIOFIGRFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  43.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Amino-4,4-dimethyl-pentan-2-one; hydrochloride 在 四(三苯基膦)钯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 ammonium acetate 、 potassium acetate 、 sodium carbonate 、 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 109.0h， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of novel imidazol-1-ylacetic acid derivatives as non-brain penetrant bombesin receptor subtype-3 (BRS-3) agonists

  摘要：

  Novel compounds based on la were synthesized with the focus of obtaining agonists acting upon peripheral BRS-3. To identify potent anti-obesity compounds without adverse effects on the central nervous system (CNS), a carboxylic acid moiety and a labile carboxylic ester with an antedrug functionality were introduced. Through the extensive synthetic exploration and the pharmacokinetic studies of intravenous administration in mice, the ester 2b was selected owing to its most suitable pharmacological profile. In the evaluation of food intake suppression in C57BL/6N mice, 2b showed significant in vivo efficacy and no clear adverse effects on blood pressure change in dogs administered the compound by intravenous infusion. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.07.056
• 作为产物：
  描述：

  3,3-二甲基-1-丁酸 在 盐酸 、 草酰氯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.5h， 生成 1-Amino-4,4-dimethyl-pentan-2-one; hydrochloride
  参考文献：
  名称：

  Lipophilic 5,6,7,8-tetrahydropterin substrates for phenylalanine hydroxylase (monkey brain), tryptophan hydroxylase (rat brain) and tyrosine hydroxylase (rat brain)

  摘要：

  DOI：

  10.1016/0223-5234(87)90265-0

文献信息

• Lipophilic 5,6,7,8-tetrahydropterin substrates for phenylalanine hydroxylase (monkey brain), tryptophan hydroxylase (rat brain) and tyrosine hydroxylase (rat brain)
  作者：Wilfred L.F Armarego、Hiroyasu Taguchi、Richard G.H Cotton、Sandra Battiston、Lillian Leong

  DOI：10.1016/0223-5234(87)90265-0

  日期：1987.7
• Synthesis and biological evaluation of novel imidazol-1-ylacetic acid derivatives as non-brain penetrant bombesin receptor subtype-3 (BRS-3) agonists
  作者：Yohei Kiyotsuka、Kousei Shimada、Shozo Kobayashi、Masanori Suzuki、Mayuko Akiu、Masayoshi Asano、Yoshitaka Sogawa、Takashi Hara、Masahiro Konishi、Rie Abe-Ohya、Masanori Izumi、Yoko Nagai、Kazuhiro Yoshida、Yasuyuki Abe、Hideo Takamori、Hisashi Takahashi

  DOI：10.1016/j.bmcl.2016.07.056

  日期：2016.9

  Novel compounds based on la were synthesized with the focus of obtaining agonists acting upon peripheral BRS-3. To identify potent anti-obesity compounds without adverse effects on the central nervous system (CNS), a carboxylic acid moiety and a labile carboxylic ester with an antedrug functionality were introduced. Through the extensive synthetic exploration and the pharmacokinetic studies of intravenous administration in mice, the ester 2b was selected owing to its most suitable pharmacological profile. In the evaluation of food intake suppression in C57BL/6N mice, 2b showed significant in vivo efficacy and no clear adverse effects on blood pressure change in dogs administered the compound by intravenous infusion. (C) 2016 Elsevier Ltd. All rights reserved.