N-(2-苯乙基)丙-2-胺 1盐酸盐 | 52007-97-3

• 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: N-(2-苯乙基)丙-2-胺 1盐酸盐
• 中文别名: N-(2-苯乙基)丙-2-胺1盐酸盐；N-(2-苯乙基)丙-2-胺1HCL
• 英文名称: N-phenethylpropan-2-amine
• 英文别名: N-(2-phenylethyl)propan-2-amine
• CAS: 52007-97-3
• 化学式: C₁₁H₁₇N
• mdl: MFCD08691704
• 分子量: 163.263
• InChiKey: HNPAEWJKFXEUDW-UHFFFAOYSA-N

物化性质

• 熔点：
  -26 °C
• 沸点：
  92 °C(Press: 20 Torr)
• 密度：
  1.4996 g/cm3(Temp: 14 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  N-(2-苯乙基)丙-2-胺 1盐酸盐 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 TEA 、 N,N-二异丙基乙胺 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 生成 3-[(2S)-1-oxo-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1-propan-2-ylurea
  参考文献：
  名称：

  A novel series of urea-based peptidomimetic calpain inhibitors

  摘要：

  A series of peptide aldehyde derivatives in which the P-2 chiral carbon has been replaced with nitrogen were synthesized as urea-based peptidomimetic inhibitors of mu-calpain. The compounds mirrored the general SAR of peptidyl aldehyde calpain inhibitors but displayed greater selectivity for mu-calpain over cathepsin B. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.068
• 作为产物：
  描述：

  2-苯基-N-丙-2-基-乙酰胺 在 锂硼氢 、 三甲基氯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 N-(2-苯乙基)丙-2-胺 1盐酸盐
  参考文献：
  名称：

  Smith, Paul W.; Sollis, Steven L.; Howes, Peter D., Journal of Medicinal Chemistry, 1998, vol. 41, # 6, p. 787 - 797

  摘要：

  DOI：

文献信息

• BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas Operations, Inc.

  公开号：US20190300521A1

  公开（公告）日：2019-10-03

  The present disclosure relates to bifunctional compounds, which find utility as modulators of SMARCA2 or BRM (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a ligand that binds to the Von Hippel-Lindau E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为SMARCA2或BRM（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合Von Hippel-Lindau E3泛素连接酶的配体，另一端结合靶蛋白的双功能化合物，使得靶蛋白与泛素连接酶靠近以实现靶蛋白的降解（和抑制）。本公开展示了与靶蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。
• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011059784A1

  公开（公告）日：2011-05-19

  Disclosed are compounds of Formula (I) or stereoisomers or salts thereof, wherein: X1, X2, X3, W, Q1, Q2, and G2 are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物或其立体异构体或盐，其中：X1、X2、X3、W、Q1、Q2和G2在此处被定义。还揭示了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面是有用的，如自身免疫疾病和血管疾病。
• TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20180125821A1

  公开（公告）日：2018-05-10

  The present disclosure relates to bifunctional compounds, which find utility as modulators of tau protein. In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a VHL or cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds tau protein, such that tau protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of tau. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of tau protein. Diseases or disorders that result from aggregation or accumulation of tau protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为tau蛋白的调节剂具有实用性。具体而言，本公开涉及含有一端结合到E3泛素连接酶的VHL或cereblon配体，另一端结合到tau蛋白的双功能化合物，使得tau蛋白与泛素连接酶靠近，以实现tau蛋白的降解（和抑制）。本公开展示了与tau蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由tau蛋白聚集或积累导致的疾病或紊乱。
• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES
  申请人：Arvinas, Inc.

  公开号：US20190151295A1

  公开（公告）日：2019-05-23

  The present disclosure relates to bifunctional compounds, which find utility as modulators of Interleukin-1 Receptor-Associated Kinase 4 (IRAK-4); the target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hppel-Lindau, cereblon, ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为白细胞介素-1受体相关激酶4（IRAK-4；目标蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合E3泛素连接酶的Von Hppel-Lindau、cereblon配体的双功能化合物，另一端结合目标蛋白的部分，使得目标蛋白靠近泛素连接酶以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白的降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由目标蛋白聚集或积累导致的疾病或紊乱。
• Selective Amine Cross-Coupling Using Iridium-Catalyzed “Borrowing Hydrogen” Methodology
  作者：Ourida Saidi、A. John Blacker、Mohamed M. Farah、Stephen P. Marsden、Jonathan M. J. Williams

  DOI：10.1002/anie.200904028

  日期：2009.9.21

  Something borrowed: Amine cross‐coupling reactions are catalyzed using [Cp*IrI2}2] (Cp*=C5Me5) in the absence of a base. A range of anilines were converted into their N‐isopropyl derivatives, and the same process was also effective for alkylation of benzylamines and other aliphatic primary amines.

  借用的东西：在没有碱的情况下，使用[Cp * IrI 2 } 2 ]（Cp * = C 5 Me 5）催化胺的交叉偶联反应。一系列苯胺被转化为它们的N异丙基衍生物，相同的方法对于苄胺和其他脂肪族伯胺的烷基化也有效。