tert-butyl N-[5-(propan-2-ylamino)pentan-2-yl]carbamate | 694446-89-4

• 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: tert-butyl N-[5-(propan-2-ylamino)pentan-2-yl]carbamate
• CAS: 694446-89-4
• 化学式: C₁₃H₂₈N₂O₂
• 分子量: 244.378
• InChiKey: VAPLHRHZOUUOGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[5-(propan-2-ylamino)pentan-2-yl]carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 N⁴-isopropyl-1-methyl-butanediyldiamine
  参考文献：
  名称：

  N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the α2δ subunit of voltage gated calcium channels

  摘要：

  A series of N-acridin-9-yl-butane-1,4-diamines were found to be high-affinity ligands of the alpha(2)deltasubunit of voltage gated calcium channels. The SAR studies of butane-1,4-diamine side chain resulted in the identification of compound 10 (IC50=9 nM), which is more potent than gabapentin (IC50=27 nM). Partial saturation of the acridine ring was also pursued and provided a compound with higher binding affinity than 1. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.087
• 作为产物：
  描述：

  4-aminopentanoic acid 在 N-甲基吗啉 、 sodium tetrahydroborate 、 TEA 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 生成 tert-butyl N-[5-(propan-2-ylamino)pentan-2-yl]carbamate
  参考文献：
  名称：

  N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the α2δ subunit of voltage gated calcium channels

  摘要：

  A series of N-acridin-9-yl-butane-1,4-diamines were found to be high-affinity ligands of the alpha(2)deltasubunit of voltage gated calcium channels. The SAR studies of butane-1,4-diamine side chain resulted in the identification of compound 10 (IC50=9 nM), which is more potent than gabapentin (IC50=27 nM). Partial saturation of the acridine ring was also pursued and provided a compound with higher binding affinity than 1. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.087