1-Amino-3-formamino-propan | 56125-51-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: 1-Amino-3-formamino-propan
• 英文别名: 3-Formylamino-propylamin；N-(2-aminopropyl)formamide；N-(3-aminopropyl)formamide
• CAS: 56125-51-0
• 化学式: C₄H₁₀N₂O
• 分子量: 102.136
• InChiKey: VYPFWPNTHCCMQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  、 1-Amino-3-formamino-propan 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 26.25h， 生成 (S)-2-(3,4-dichlorophenyl)-N-methyl-N-(2-(pyrrolidin-1-yl)-1-(3-(1,7,11,14-tetraoxo-9-oxa-2,6,12,15-tetraazaheptadecanamido)phenyl)ethyl)acetamide
  参考文献：
  名称：

  A κ Opioid Pharmacophore Becomes a Spinally Selective κ-δ Agonist When Modified with a Basic Extender Arm

  摘要：

  We have explored the concept of a molecular extender arm attached to a kappa opioid agonist pharmacophore 3 (ICI-199,441) in an effort to potentially interact, with a complementary group on a neighboring opioid receptor. The containing a terminal amine group was lengthened incrementally from 11 1 up to 18 atoms. Increasing the number-of atoms in the arm produced virtually no change in the mouse intracerebroventricular (i.c.v.) antinociceptive potency In contrast, the intrathecal (i.t.) potency of 6 (KDA-16) with a 16 atom arm was dramatically increased, as reflected by its antinociceptive i.c.v./i.t. ED50 ratio of similar to 130. Further lengthening led to a decreased ED50 ratio. In vivo selective antagonist studies of KDA-16 revealed that kappa and delta opioid receptors were responsible for the greatly enhanced it potency Calcium release experiments in HEK-293 cells suggested that KDA-16 selectively activate kappa-delta heteromers. These data are consistent with the reported possible presence of heteromeric kappa-delta opioid receptors in mouse spinal cord but not in the brain. The use of a molecular extender arm may be useful for developing spinally selective analgesics.

  DOI：

  10.1021/ml1001294
• 作为产物：
  描述：

  1,3-丙二胺 、 甲酸乙酯 生成 1-Amino-3-formamino-propan
  参考文献：
  名称：

  100.氢嘧啶。第I部分1,4,5,6-四氢嘧啶及其衍生物

  摘要：

  DOI：

  10.1039/jr9620000527

文献信息

• A κ Opioid Pharmacophore Becomes a Spinally Selective κ-δ Agonist When Modified with a Basic Extender Arm
  作者：Ye Tang、Jie Yang、Mary M. Lunzer、Michael D. Powers、Philip S. Portoghese

  DOI：10.1021/ml1001294

  日期：2011.1.13

  We have explored the concept of a molecular extender arm attached to a kappa opioid agonist pharmacophore 3 (ICI-199,441) in an effort to potentially interact, with a complementary group on a neighboring opioid receptor. The containing a terminal amine group was lengthened incrementally from 11 1 up to 18 atoms. Increasing the number-of atoms in the arm produced virtually no change in the mouse intracerebroventricular (i.c.v.) antinociceptive potency In contrast, the intrathecal (i.t.) potency of 6 (KDA-16) with a 16 atom arm was dramatically increased, as reflected by its antinociceptive i.c.v./i.t. ED50 ratio of similar to 130. Further lengthening led to a decreased ED50 ratio. In vivo selective antagonist studies of KDA-16 revealed that kappa and delta opioid receptors were responsible for the greatly enhanced it potency Calcium release experiments in HEK-293 cells suggested that KDA-16 selectively activate kappa-delta heteromers. These data are consistent with the reported possible presence of heteromeric kappa-delta opioid receptors in mouse spinal cord but not in the brain. The use of a molecular extender arm may be useful for developing spinally selective analgesics.
• 100. Hydropyrimidines. Part I. 1,4,5,6-Tetrahydropyrimidine and its derivatives
  作者：D. J. Brown、R. F. Evans

  DOI：10.1039/jr9620000527

  日期：——