4-amino-2-methylphenylboronic acid | 216060-08-1

• 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: 4-amino-2-methylphenylboronic acid
• 英文别名: 4-amino-6-methylphenylboronic acid；(4-Amino-2-methylphenyl)boronic acid
• CAS: 216060-08-1
• 化学式: C₇H₁₀BNO₂
• 分子量: 150.973
• InChiKey: YOSXJLIIIZSXCC-UHFFFAOYSA-N

物化性质

• 沸点：
  361.3±52.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.74
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-amino-2-methylphenylboronic acid 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 sodium hydride 、 caesium carbonate 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 17.0h， 生成 2,2-Dimethyl-3-[5-[2-methyl-4-(naphthalene-2-carbonylamino)phenyl]pyridin-2-yl]oxypropanoic acid
  参考文献：
  名称：

  Design and synthesis of potent carboxylic acid DGAT1 inhibitors with high cell permeability

  摘要：

  A series of potent carboxylic acid DGAT1 inhibitors with high permeability were developed from a virtual screening hit. Strategies were employed to reduce Pgp substrate recognition and increase passive permeability, resulting in the discovery of a series showing good inhibition of cellular triglyceride synthesis. The mutagenic potential of prospective metabolites was evaluated in the Ames assay, and one aniline was shown to be devoid of mutagenicity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.050

文献信息

• SUBSTITUTED PHENYLALANINE DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160244437A1

  公开（公告）日：2016-08-25

  The invention relates to substituted phenylalanine derivatives and to processes for preparation thereof, and to the use thereof for production of medicaments for the treatment and/or prophylaxis of diseases, especially of cardiovascular disorders and/or severe perioperative blood loss.

  本发明涉及取代苯丙氨酸衍生物及其制备方法，以及将其用于生产用于治疗和/或预防疾病的药物，特别是心血管疾病和/或严重围手术期失血的药物。
• NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS
  申请人：ANANTHAN Subramaniam

  公开号：US20160159751A1

  公开（公告）日：2016-06-09

  The present disclosure relates to certain amine derivatives of fused bicyclic heterocycles that inhibit the amine reuptake function of the biogenic amine transporters, dopamine transporter (DAT), serotonin transporter (SERT) and norepinephrine transporter (NET). Compounds of the present disclosure are potent inhibitors of the reuptake of dopamine (DA), serotonin (5-hydroxytryptamine, 5-HT) and norepinephrine (NE) with full or partial maximal efficacy. The compounds with partial maximal efficacy in inhibiting reuptake of all three biogenic amines are herein referred to as partial triple uptake inhibitors (PTRIs). Compounds of the present disclosure are useful for treating depression, pain and substance abuse and relapse to substance abuse and addiction to substances such as cocaine, methamphetamine, nicotine and alcohol. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本公开涉及某些融合双环杂环的胺衍生物，其抑制生物胺转运体的胺重摄取功能，包括多巴胺转运体（DAT）、5-羟色胺转运体（SERT）和去甲肾上腺素转运体（NET）。本公开的化合物是多巴胺（DA）、5-羟色胺（5-HT）和去甲肾上腺素（NE）重摄取的有效抑制剂，具有完全或部分的最大功效。对于抑制所有三种生物胺的重摄取具有部分最大功效的化合物，本文称之为部分三重摄取抑制剂（PTRIs）。本公开的化合物可用于治疗抑郁症、疼痛和物质滥用以及物质滥用和对可卡因、甲基苯丙胺、尼古丁和酒精等物质的成瘾复发。本摘要旨在作为搜索特定技术领域的扫描工具，不限制本发明。