N-benzyldiethanolamine hydrochloride

• 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: N-benzyldiethanolamine hydrochloride
• 英文别名: 2-[benzyl-(2-hydroxyethyl)amino]ethanol hydrochloride；2-[Benzyl-(2-hydroxyethyl)amino]ethanol hydrochloride；2-[benzyl(2-hydroxyethyl)amino]ethanol;hydrochloride
• 化学式: C₁₁H₁₇NO₂*ClH
• 分子量: 231.722
• InChiKey: ASDFLWMDIKLVFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.94
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  44.9
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-benzyldiethanolamine hydrochloride 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以99%的产率得到N-苄基-N,N-双(2-氯乙基)胺盐酸盐
  参考文献：
  名称：

  WO2008/25736

  摘要：

  公开号：
• 作为产物：
  描述：

  2,2’-(苄基亚氨基)二乙醇 在 盐酸 作用下， 以 乙醚 为溶剂， 以99%的产率得到N-benzyldiethanolamine hydrochloride
  参考文献：
  名称：

  WO2008/25736

  摘要：

  公开号：

文献信息

• Ruthenium-catalyzed heteroannulation of anilines with alkanolammonium chlorides leading to indoles
  作者：Chan Sik Cho、Jin Hwang Kim、Tae-Jeong Kim、Sang Chul Shim

  DOI：10.1016/s0040-4020(01)00202-2

  日期：2001.4

  Anilines react with alkanolammonium chlorides in an aqueous medium (H2O–dioxane) at 180°C in the presence of a catalytic amount of a ruthenium catalyst together with SnCl2·2H2O to afford the corresponding indoles in moderate to good yields. Especially, when triisopropanolammonium chloride is employed to react with anilines, 2-methylindoles are formed regioselectively. The presence of SnCl2·2H2O is

  在催化量的钌催化剂和SnCl 2 ·2H 2 O的存在下，苯胺在水性介质（H 2 O-二恶烷）中在180°C下与链烷醇氯化铵反应，以中等至良好的收率得到相应的吲哚。特别是，当使用氯化三异丙基丙铵与苯胺反应时，区域选择性地形成2-甲基吲哚。的SnCl存在2 ·2H 2 O为必需的有效形成吲哚。针对该催化过程，提出了一种涉及链烷醇基团从链烷醇胺转移至苯胺，苯胺被苯胺链烷醇进行N-烷基化以及1,2-二苯胺基烷烃的杂环化反应的反应途径。
• SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE
  申请人：Arndt Torsten

  公开号：US20120172335A1

  公开（公告）日：2012-07-05

  The present invention relates to novel benzimidazolone derivatives of the general formula (I) in which the substituents R 1 , R 2 , R 3 , A 1 , A 2 , and B are as defined in claim 1 , medicaments comprising these, and the use thereof for the prophylaxis and/or treatment of vasopressin-dependent diseases.

  本发明涉及一种新型苯并咪唑酮衍生物，其通式为（I），其中取代基R1、R2、R3、A1、A2和B如权利要求书所定义，包括这些衍生物的药物以及它们在抗利尿激素依赖性疾病的预防和/或治疗中的应用。
• Substituted benzimidazolone derivatives, medicaments comprising them and their use
  申请人：Abbott GmbH & Co. HG

  公开号：US08119676B2

  公开（公告）日：2012-02-21

  The present invention relates to novel benzimidazolone derivatives of the general formula (I) in which the substituents R1, R2, R3, A1, A2, and B are as defined in claim 1, medicaments comprising these, and the use thereof for the prophylaxis and/or treatment of vasopressin-dependent diseases.

  本发明涉及一种新型苯并咪唑酮衍生物，其一般式为(I)，其中取代基R1、R2、R3、A1、A2和B的定义如权利要求书1所述，包括这些衍生物的药物，以及用于预防和/或治疗利尿激素依赖性疾病的使用。
• Synthesis and Structure−Activity Relationship of N-Substituted 4-Arylsulfonylpiperidine-4-hydroxamic Acids as Novel, Orally Active Matrix Metalloproteinase Inhibitors for the Treatment of Osteoarthritis
  作者：Venkatesan Aranapakam、Jamie M. Davis、George T. Grosu、Baker、John Ellingboe、Arie Zask、Jeremy I. Levin、Vincent P. Sandanayaka、Mila Du、Jerauld S. Skotnicki、John F. DiJoseph、Amy Sung、Michele A. Sharr、Loran M. Killar、Thomas Walter、Guixian Jin、Rebecca Cowling、Jeff Tillett、Weiguang Zhao、Joseph McDevitt、Zhang Bao Xu

  DOI：10.1021/jm0205550

  日期：2003.6.1

  The matrix metalloproteinases (MMPs) are a family of zinc-containing endopeptidases that play a key role in both physiological and pathological tissue degradation. In our preceding paper, we have reported on a series of novel and orally active N-hydroxy-alpha-phenylsulfonylacetamide derivatives. However, these compounds had two drawbacks (moderate selectivity and chirality issues). To circumvent these two problems, a series of novel and orally active N-substituted 4-benzenesulfonylpiperidine-4-carboxylic acid hydroxyamide derivatives have been synthesized. The present paper deals with the synthesis and SAR of these compounds. Among the several compounds synthesized, derivative 55 turned out to be a potent, selective, and an orally active MMP inhibitor in the clinically relevant advanced rabbit osteoarthritis model. Detailed pharmacokinetics and metabolism data are described.
• ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM
  申请人：World Minerals, Inc.

  公开号：EP2207416A1

  公开（公告）日：2010-07-21