isopentyl-phenethyl-amine | 110755-31-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isopentyl-phenethyl-amine
• 英文别名: Isopentyl-phenaethyl-amin；(3-methylbutyl)-(2-phenylethyl)amine；(3-Methylbutyl)(2-phenylethyl)amine；3-methyl-N-(2-phenylethyl)butan-1-amine
• CAS: 110755-31-2
• 化学式: C₁₃H₂₁N
• mdl: MFCD09688686
• 分子量: 191.316
• InChiKey: JSMHQGVHKNQZQB-UHFFFAOYSA-N

物化性质

• 沸点：
  272.7±9.0 °C(Predicted)
• 密度：
  0.894±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  isopentyl-phenethyl-amine 生成 N-(3-methylbutyl)-2-phenylacetamide
  参考文献：
  名称：

  Analgesic and/or opiate antagonist tripeptide amides and processes for

  摘要：

  一种三肽酰胺属及其15种物种，示例4-18，这些物种可用作止痛剂和/或阿片拮抗剂，其制备方法有三种，药物组合物，以及示例1-3的三种三肽酰胺物种，这些物种不属于该属，可用作止痛剂和/或阿片拮抗剂，均已披露。

  公开号：

  US04658013A1
• 作为产物：
  描述：

  苯乙醛 、 sodium cyanoborohydride 在 sodium cyanoborohydride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 8.0h， 以100%的产率得到isopentyl-phenethyl-amine
  参考文献：
  名称：

  Structure–activity relationships of small molecule inhibitors of RAGE-Aβ binding

  摘要：

  The Receptor for Advanced Glycation Endproducts ('RAGE') mediates transport of amyloid-beta peptide (A beta) into the brain, and is therefore an important target for the development of therapeutic agents for Alzheimer's disease. We describe structure activity relationships for inhibition of RAGE-A beta binding, derived from the analysis of a library of tertiary amides. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.079

文献信息

• AMIDE DERIVATIVE
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP2119702A1

  公开（公告）日：2009-11-18

  The present invention relates to a compound of the formula (I) being useful as a renin inhibitor, or a pharmaceutically acceptable salt thereof. wherein R1a is a hydrogen atom, an optionally substituted C1-6 alkyl, etc.; R1b is an optionally substituted C1-6 alkoxy, etc.; R1c is a hydrogen atom, an optionally substituted C1-6 alkoxy, etc.; R2 is a hydrogen atom, an optionally substituted C1-6 alkyl, etc.; R3a, R3b, R3c and R3d are independently the same or different, and each is a group of the formula: -A-B (in which A is a single bond, -(CH2)sO-, - (CH2)sN(R4)CO-, etc., B is a hydrogen atom, an optionally substituted C1-6 alkyl, etc.), etc.; R4 is a hydrogen atom, an optionally substituted C1-6 alkyl, etc.; s is 0, etc.; and n is 1, etc.

  本发明涉及一种可用作肾素抑制剂的式 (I) 化合物或其药学上可接受的盐。 其中 R1a 是氢原子、任选取代的 C1-6 烷基等；R1b 是任选取代的 C1-6 烷氧基等；R1c 是氢原子、任选取代的 C1-6 烷氧基等；R2 是氢原子、任选取代的 C1-6 烷基等；R3a、R3b、R3c 和 R3d 独立地相同或不同，且各自是式中的基团：-A-B（其中 A 是单键、-(CH2)sO-、-(CH2)sN(R4)CO- 等，B 是氢原子、任选取代的 C1-6 烷基等）等；R4 是氢原子、任选取代的 C1-6 烷基等；s 是 0 等；n 是 1 等。
• US4658013A
  申请人：——

  公开号：US4658013A

  公开（公告）日：1987-04-14
• Structure–activity relationships of small molecule inhibitors of RAGE-Aβ binding
  作者：Nathan T. Ross、Rashid Deane、Sheldon Perry、Benjamin L. Miller

  DOI：10.1016/j.tet.2013.05.079

  日期：2013.9

  The Receptor for Advanced Glycation Endproducts ('RAGE') mediates transport of amyloid-beta peptide (A beta) into the brain, and is therefore an important target for the development of therapeutic agents for Alzheimer's disease. We describe structure activity relationships for inhibition of RAGE-A beta binding, derived from the analysis of a library of tertiary amides. (C) 2013 Elsevier Ltd. All rights reserved.
• Analgesic and/or opiate antagonist tripeptide amides and processes for
  申请人：Sterling Drug Inc.

  公开号：US04658013A1

  公开（公告）日：1987-04-14

  A genus of tripeptide amides and fifteen species thereof of Examples 4-18, which are useful as analgesics and/or opiate antagonists, three processes for preparation thereof, pharmaceutical compositions thereof, and the three tripeptide amide species of Examples 1-3, which are not within the genus and are useful as analgesics and/or opiate antagonists, are disclosed.

  一种三肽酰胺属及其15种物种，示例4-18，这些物种可用作止痛剂和/或阿片拮抗剂，其制备方法有三种，药物组合物，以及示例1-3的三种三肽酰胺物种，这些物种不属于该属，可用作止痛剂和/或阿片拮抗剂，均已披露。