4-二甲胺甲基苯甲酸盐酸盐 | 17847-26-6

• 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: 4-二甲胺甲基苯甲酸盐酸盐
• 英文名称: 4-[(dimethylamino)methyl]benzoic acid hydrochloride
• 英文别名: 4-((Dimethylamino)methyl)benzoic acid hydrochloride；4-[(dimethylamino)methyl]benzoic acid;hydrochloride
• CAS: 17847-26-6
• 化学式: C₁₀H₁₃NO₂*ClH
• mdl: MFCD09997604
• 分子量: 215.68
• InChiKey: SNTRRUBDUJPTLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.16
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境中使用。

反应信息

• 作为反应物：
  描述：

  4-二甲胺甲基苯甲酸盐酸盐 在 草酸氯化物 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-(N,N-二甲基氨基甲基)苯甲酰氯
  参考文献：
  名称：

  Discovery of Aminofurazan-azabenzimidazoles as Inhibitors of Rho-Kinase with High Kinase Selectivity and Antihypertensive Activity

  摘要：

  The discovery, proposed binding mode, and optimization of a novel class of Rho-kinase inhibitors are presented. Appropriate substitution on the 6-position of the azabenzimidazole core provided subnanomolar enzyme potency in vitro while dramatically improving selectivity over a panel of other kinases. Pharmacokinetic data was obtained for the most potent and selective examples and one (6n) has been shown to lower blood pressure in a rat model of hypertension.

  DOI：

  10.1021/jm060873p
• 作为产物：
  描述：

  对甲基苯甲酸甲酯 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 水 、 potassium carbonate 、 potassium iodide 作用下， 以 四氯化碳 、 乙醇 为溶剂， 反应 12.0h， 生成 4-二甲胺甲基苯甲酸盐酸盐
  参考文献：
  名称：

  Synthesis and biological evaluation of Matijing-Su derivatives as potent anti-HBV agents

  摘要：

  A series of Matijing-Su (MTS, N-(N-benzoyl-L-phenylalanyl)-O-acetyl-L-phenylalanol) derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity in 2.2.15 cells. The IC50 of compounds 14a (0.71 mu M), 13c (2.85 mu M), 13b (4.37 mu M), etc. and the selective index of 13g (161.01), 13c (90.45), 13a (85.09) etc. of the inhibition on the replication of HBV DNA were better than those of the positive control lamivudine (IC50: 82.42 mu M, SI: 41.59). Compounds 13o, 13p, and 16a also exhibited significant anti-HBV activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.001

文献信息

• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2019152437A1

  公开（公告）日：2019-08-08

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。
• PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF
  申请人：Liang Guangyi

  公开号：US20090247470A1

  公开（公告）日：2009-10-01

  Disclosed are a compound of formula I, stereoisomers, pharmaceutically acceptable salts or hydrates thereof, a pharmaceutical composition comprising the smae, a process for preparing the same and use thereof. The compound may also be used to prepare a medicament to treat viral infections, especially to prepare a medicament to treat hepatitis B virus and human immunodeficiency virus with little toxic side effects.

  公开了一种具有I式化合物、立体异构体、药学上可接受的盐或水合物的化合物，包括该化合物的药物组合物，制备该化合物的方法以及其用途。该化合物还可用于制备治疗病毒感染的药物，特别是用于制备治疗乙型肝炎病毒和人类免疫缺陷病毒的药物，具有较小的毒副作用。
• Reconfiguration of π-conjugated superstructures enabled by redox-assisted assembly
  作者：Kaixuan Liu、Arindam Mukhopadhyay、Adam Ashcraft、Chuan Liu、Adam Levy、Patricia Blackwelder、Jean-Hubert Olivier

  DOI：10.1039/c9cc01939a

  日期：——

  Redox-assisted assembly enforces reconfiguration of π-conjugated superstructures.

  氧化还原辅助装配促进π共轭超结构的重构。
• Pyrazolopyrimidine compound and a process for preparing the same
  申请人：Takamuro Iwao

  公开号：US20060135525A1

  公开（公告）日：2006-06-22

  The present invention provides a novel pyrazolopyrimidine compound of the formula [I]: wherein R′ is (A) a substituted aryl group, (B) an optionally substituted nitrogen-containing aliphatic heteromonocyclic group, (C) a substituted cyclo-lower alkyl group, (D) an optionally substituted amino group, or (E) a substituted heteroaryl group, R 2 is (a) an optionally substituted heteroaryl group or (b) an optionally substituted aryl group, Y is a single bond, a lower alkylene group or a lower alkenylene group, Z is a group of the formula: —CO—, —CH2-, S02- or a group of the formula [II]: Q is a lower alkylene group, and q is an integer of 0 or 1 or a pharmaceutically acceptable sait thereof, which has a small conductance potassium channel (SK channel) blocking activity and is useful as a medicament and a process for preparing the same.

  本发明提供了一种新型的吡唑嘧啶化合物，其化学式为[I]：其中R′为（A）取代芳基，（B）可选取代的含氮脂肪杂环基，（C）取代的环低烷基，（D）可选取代的氨基或（E）取代的杂环芳基；R2为（a）可选取代的杂环芳基或（b）可选取代的芳基；Y为单键，低碳基烷基或低碳基烯基；Z为式[II]的基团：其中Q为低碳基烷基，q为0或1的整数，或其药学上可接受的盐。该化合物具有小电导钾通道（SK通道）阻滞活性，并可作为药物使用，以及其制备方法。
• Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents
  申请人：Shinitzky Meir

  公开号：US20060173053A1

  公开（公告）日：2006-08-03

  Basic esters of fatty alcohols of the general formula: R1-O—CO-A or pharmaceutically acceptable salts thereof, wherein R1 is C 12 -C 24 alkyl or C 10 -C 24 alkenyl, and A is a residue containing at least one acyclic or cyclic amino group and/or at least one heteroaromatic ring containing a tertiary or quaternary nitrogen atom, are anti-inflammatory and immunomodulatory agents, useful in the treatment of immunologically-mediated inflammation, as adjuvants for antigens involved in both cellular and humoral responses.

  一般式为R1-O-CO-A的脂肪醇基本酯或其药学上可接受的盐，其中R1为C12-C24烷基或C10-C24烯基，A为含有至少一个无环或环状氨基团和/或至少一个含有三级或四级氮原子的杂环芳香环的残基，具有抗炎和免疫调节作用，可用于治疗免疫介导的炎症，并作为细胞和体液反应中涉及的抗原的佐剂。