[4-(2-氨基乙基)苯基]甲醇盐酸盐 | 68559-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [4-(2-氨基乙基)苯基]甲醇盐酸盐
• 英文名称: (4-(2-aminoethyl)phenyl)methanol hydrochloride
• 英文别名: [4-(2-aminoethyl)phenyl]methanol;hydrochloride
• CAS: 68559-71-7
• 化学式: C₉H₁₃NO*ClH
• 分子量: 187.669
• InChiKey: VHQFEWXLZSGSBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  [4-(2-氨基乙基)苯基]甲醇盐酸盐 在 sodium dichromate 、 溶剂黄146 作用下， 生成 4-[2-(2-9H-Fluoren-9-yl-acetylamino)-ethyl]-benzoic acid
  参考文献：
  名称：

  FR2356631

  摘要：

  公开号：
• 作为产物：
  描述：

  4-(2-氨基乙基)苯甲醇 在 盐酸 作用下， 以 乙醚 、 异丙醇 为溶剂， 反应 0.17h， 以5.40 g的产率得到[4-(2-氨基乙基)苯基]甲醇盐酸盐
  参考文献：
  名称：

  A traceless photocleavable linker for the automated glycan assembly of carbohydrates with free reducing ends

  摘要：

  一个无痕光解离型连接剂用于自动糖类组装，为制备具有自由还原末端的复杂碳水化合物提供了途径，如成功制备了九种植物细胞壁相关寡糖所示。

  DOI：

  10.1039/c6cc04954k

文献信息

• Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0194751A1

  公开（公告）日：1986-09-17

  A wherein R' and R2 each is alkyl, alkenyl or alkoxyalkyl, wherein R3 and R4 each is alkyl, wherein benzene ring A is unsubstituted or bears one or more additional substituents selected from halogeno, cyano, nitro, trifluoromethyl and alkyl, or bears the substituent =N-α-N= attached to the 5-and 6-positions, wherein Ar is phenyl, naphthyl, tetrahydronaphthyl, indanyl or indenyl which is unsubstituted or which bears one or more substituents, or Ar is a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from oxygen, nitrogen and sulphur, which ring is saturated or unsaturated, which ring is unsubstituted or bears one or more substituents and which ring may also be fused to a benzene ring, wherein p is 0 or 1, wherein X is -0- or -5-, and wherein Y is straight-or branched-chain alkylene or alkenylene each of 2 to 12 carbon atoms which may optionally be interrupted by one or two groups selected from oxygen, sulphur, imino, substituted imino, phenylene, substituted phenylene, pyridylene, cycloalkylene, 1,4-piperazinediyl, 1,4-piperidinediyl and amido groups; or an acid-addition salt thereof, processes for their manufacture and pharmaceutical compositions containing them. The compounds possess either beta-adrenergic blocking or calcium ion slow channel blocking properties, or both such properties, and may be used in the treatment of hypertension.

  A 其中 R' 和 R2 各为烷基、烯基或烷氧基烷基，其中 R3 和 R4 各为烷基，其中苯环 A 未被取代或带有一个或多个选自卤素、氰基、硝基、三氟甲基和烷基的额外取代基、其中 Ar 是未被取代的苯基、萘基、四氢萘基、茚基或茚基，或带有一个或多个取代基，或 Ar 是含有 1、2 或 3 个选自氧、氮和硫的杂原子的 5 或 6 元杂环、其中 p 为 0 或 1，X 为-0-或-5-、其中 Y 为 2 至 12 个碳原子的直链或支链亚烷基或烯基，可任选被一个或两个选自氧、硫、亚氨基、取代亚氨基、亚苯基、取代亚苯基、吡啶基、环烷基、1,4-哌嗪二基、1,4-哌啶二基和氨基的基团打断；或其酸加成盐，以及它们的制造工艺和含有它们的药物组合物。这些化合物具有β-肾上腺素能阻断特性或钙离子慢通道阻断特性，或同时具有这两种特性，可用于治疗高血压。
• Probing the S2′ Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates
  作者：Elbek K. Kurbanov、Ting-Lan Chiu、Jonathan Solberg、Subhashree Francis、Kimberly M. Maize、Jenna Fernandez、Rodney L. Johnson、Jon E. Hawkinson、Michael A. Walters、Barry C. Finzel、Elizabeth Ambrose Amin

  DOI：10.1021/acs.jmedchem.5b01446

  日期：2015.11.12

  The lethal factor (LF) enzyme secreted by Bacillus anthracis is a zinc hydrolase that is chiefly responsible for anthrax-related cell death. Although many studies of the design of small molecule LF inhibitors have been conducted, no LF inhibitor is yet available as a therapeutic agent. Inhibitors with considerable chemical diversity have been developed and investigated; however, the LF S2' subsite has not yet been systematically explored as a potential target for lead optimization. Here we present synthesis, experimental evaluation, modeling, and structural biology for a novel series of sulfonamide hydroxamate LF inhibitor analogues specifically designed to extend into, and probe chemical preferences of, this S2' subsite. We discovered that this region accommodates a wide variety of chemical functionalities and that a broad selection of ligand structural modifications directed to this area can be incorporated without significant deleterious alterations in biological activity. We also identified key residues in this subsite that can potentially be targeted to improve inhibitor binding.
• US4136197A
  申请人：——

  公开号：US4136197A

  公开（公告）日：1979-01-23
• US4873254A
  申请人：——

  公开号：US4873254A

  公开（公告）日：1989-10-10
• A traceless photocleavable linker for the automated glycan assembly of carbohydrates with free reducing ends
  作者：M. Wilsdorf、D. Schmidt、M. P. Bartetzko、P. Dallabernardina、F. Schuhmacher、P. H. Seeberger、F. Pfrengle

  DOI：10.1039/c6cc04954k

  日期：——

  A traceless photocleavable linker for automated glycan assembly provides access to complex carbohydrates with free reducing ends, as demonstrated with the successful preparation of nine plant cell wall-related oligosaccharides.

  一个无痕光解离型连接剂用于自动糖类组装，为制备具有自由还原末端的复杂碳水化合物提供了途径，如成功制备了九种植物细胞壁相关寡糖所示。