[4-(3-Aminopropoxy)phenyl]methanol | 116753-56-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [4-(3-Aminopropoxy)phenyl]methanol
• CAS: 116753-56-1
• 化学式: C₁₀H₁₅NO₂
• 分子量: 181.235
• InChiKey: FEUGTQHXNQNWCA-UHFFFAOYSA-N

物化性质

• 沸点：
  346.1±27.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [4-(3-Aminopropoxy)phenyl]methanol 在 sodium tetrahydroborate 、 甲酸 作用下， 以 水 为溶剂， 反应 3.5h， 生成 5-{[3-(4-羟甲基-苯氧基)-丙基]-甲基-氨基}-2-异丙基-2-(3,4,5-三甲氧基-苯基)-戊腈
  参考文献：
  名称：

  Novel phenoxyalkylamine derivatives. II. Synthesis and Ca2+-antagonistic activities of .ALPHA.-alkyl-.ALPHA.-((phenoxypropylamino)propyl)-benzeneacetonitrile derivatives.

  摘要：

  含有不同取代基的α-烷基-α-[(苯氧丙胺)丙基]苯乙腈衍生物被合成，并评估了它们的Ca2+拮抗活性。在这些化合物中，具有在A环上带有3, 4, 5-(OMe)3基团、在四级碳原子上带有iso-Pr基团，以及在B环上带有m-OMe、3, 5-(OMe)2、3, 5-Me2或3, 4, 5-(OMe)3基团的N-Me衍生物被发现具有高于pA2=9的Ca2+拮抗活性。讨论了在A环、四级碳原子和B环上的取代效应。

  DOI：

  10.1248/cpb.36.373

文献信息

• IMAGING AGENTS
  申请人：Drummond Margaret Struthers

  公开号：US20140010762A1

  公开（公告）日：2014-01-09

  An imaging agent for cells which produces an intracellular imaging signal proportional to the amount of hCE-1 in the cells independently of the amount of hCE-2 and/or hCE-3 in the cells, said imaging agent being a covalent conjugate of (a) an imaging agent and (b) an alpha mono- or di-substituted amino acid ester, wherein (a) is directly linked to (b), or (a) is indirectly linked to (b) by a linker radical, and wherein said direct or indirect linkage is via the amino group of (b), and wherein the amino group is not directly linked to a carbonyl group, and wherein the said alpha mono- or di-substituted amino acid ester part is selectively hydrolysable to the corresponding carboxylic acid part by the intracellular carboxylesterase enzyme hCE-1 relative to the intracellular enzymes hCE-2 or hCE-3.

  一种细胞成像剂，其产生与细胞中hCE-1数量成比例的胞内成像信号，而与细胞中hCE-2和/或hCE-3的数量无关，所述成像剂是(a)成像剂和(b)α-单或双取代氨基酸酯的共价结合物，其中(a)直接与(b)连接，或者(a)通过链连接基间接与(b)连接，且所述直接或间接连接是通过(b)的氨基团，且所述氨基团不直接连接到羰基团，所述α-单或双取代氨基酸酯部分可被细胞内羧酸酯酶酶hCE-1选择性水解为相应的羧酸部分，而相对于细胞内酶hCE-2或hCE-3而言。
• MITANI, KAZUYA;YOSHIDA, TOSHIHIKO;SAKURAI, SHUNICHIRO;MORIKAWA, KOJI;IWAN+, CHEM. AND PHARM. BULL., 36,(1988) N 1, 373-385
  作者：MITANI, KAZUYA、YOSHIDA, TOSHIHIKO、SAKURAI, SHUNICHIRO、MORIKAWA, KOJI、IWAN+

  DOI：——

  日期：——
• [EN] IMAGING AGENTS<br/>[FR] AGENTS D'IMAGERIE
  申请人：CHROMA THERAPEUTICS LTD

  公开号：WO2012080705A1

  公开（公告）日：2012-06-21

  An imaging agent for cells which produces an intracellular imaging signal proportional to the amount of hCE-1 in the cells independently of the amount of hCE-2 and/or hCE-3 in the cells, said imaging agent being a covalent conjugate of (a) an imaging agent and (b) an alpha mono- or di-substituted amino acid ester, wherein (a) is directly linked to (b), or (a) is indirectly linked to (b) by a linker radical, and wherein said direct or indirect linkage is via the amino group of (b), and wherein the amino group is not directly linked to a carbonyl group, and wherein the said alpha mono- or di-substituted amino acid ester part is selectively hydrolysable to the corresponding carboxylic acid part by the intracellular carboxylesterase enzyme hCE-1 relative to the intracellular enzymes hCE-2 or hCE-3.