3-氨基二苯基胺 | 5840-03-9

• 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: 3-氨基二苯基胺
• 中文别名: N-苯基-1,3-苯二胺；N-(m-氨基苯基)苯胺
• 英文名称: N-phenyl-1,3-benzenediamine
• 英文别名: 3-aminodiphenylamine；N¹-phenylbenzene-1,3-diamine；N-phenyl-benzene-1,3-diamine；N1-Phenylbenzene-1,3-diamine；3-N-phenylbenzene-1,3-diamine
• CAS: 5840-03-9
• 化学式: C₁₂H₁₂N₂
• mdl: MFCD00561778
• 分子量: 184.241
• InChiKey: VJTZHXQAZLGBHV-UHFFFAOYSA-N

物化性质

• 溶解度：
  >27.6 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2921590090
• 储存条件：
  存放条件：室温、密封、干燥

反应信息

• 作为反应物：
  描述：

  3-氨基二苯基胺 在 碘 、 sulfur 作用下， 以 邻二氯苯 为溶剂， 生成 3H,5H-thiazolo[4,5-b]phenothiazine-2-thione
  参考文献：
  名称：

  吩噻嗪系列中的合成

  摘要：

  DOI：

  10.1007/bf00478487
• 作为产物：
  描述：

  间溴硝基苯 在 镍 氢气 、 铜 、 potassium carbonate 、 potassium iodide 、 copper(l) chloride 作用下， 以 乙醇 为溶剂， 生成 3-氨基二苯基胺
  参考文献：
  名称：

  Antiinflammatory fluoroalkanesulfonanilides. 3. Other fluoroalkanesulfonamido diaryl systems

  摘要：

  A series of isosteres of 3-benzoyltrifluoromethanesulfonanilide involving alternatives to the carbonyl linking group was synthesized and screened for antiinflammatory activity in the carrageenan rat paw edema test. The systems examined were of the type m-CF3SO2NH-C6H4-X-C6H5, where X was -CROH-, -CHR-, -CH(OH)CH2-, -COCH2-, -CH2CO-, greater than C equal to CR2, -CR equal to CH, -C identical to C-, -CH2CH2-, CONH-, -NR-, -O-, -S(O)n- (n equal to 0,1,2), and carbon-carbon single bond. Many ortho and para derivatives were also tested. Several of these new trifluoromethanesulfonanilides proved equipotent with phenylbutazone. The effects on the anticarrageenan activity of both the nature and ring position of X are discussed.

  DOI：

  10.1021/jm00238a013

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LA MODULATION DE NR2F6
  申请人：TES PHARMA S R L

  公开号：WO2021170658A1

  公开（公告）日：2021-09-02

  The present disclosure relates to compounds capable of modulating the activity of NR2F6. The compounds of the disclosure may be used in methods for the prevention and/or the treatment of diseases and disorders associated with modulating NR2F6 activity.

  本公开涉及能够调节NR2F6活性的化合物。本公开的化合物可用于预防及/或治疗与调节NR2F6活性相关疾病和障碍的方法。
• [EN] BENZOTHIADIAZINE COMPOUNDS<br/>[FR] COMPOSÉS BENZOTHIADIAZINE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017098421A1

  公开（公告）日：2017-06-15

  The invention is directed to substituted benzothiadiazine derivatives. Specifically, the invention is directed to compounds according to Formula (I):wherein R, R1, R2, R3, R4 and R5 are as defined herein. The compounds of the invention are inhibitors of CD73 and can be useful in the treatment of cancer, pre-cancerous syndromes and diseases associated with CD73 inhibition, such as AIDS, autoimmune diseases, infections, atherosclerosis, and ischemia-reperfusion injury. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CD73 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代苯并噻二嗪衍生物。具体而言，本发明涉及式(I)化合物：其中R、R1、R2、R3、R4和R5定义如下。本发明的化合物是CD73的抑制剂，可用于治疗癌症、前癌综合症和与CD73抑制相关的疾病，如艾滋病、自身免疫病、感染、动脉粥样硬化和缺血-再灌注损伤。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明更进一步的涉及使用本发明化合物或包含本发明化合物的药物组合物抑制CD73活性和治疗相关疾病的方法。
• Nickel(0)/N-heterocyclic carbene complexes catalysed arylation of aromatic diamines
  作者：Sébastien Kuhl、Yves Fort、Raphaël Schneider

  DOI：10.1016/j.jorganchem.2005.08.035

  日期：2005.12

  Nickel complexes of N-heterocyclic carbenes were examined for effecting C–N coupling reactions between aromatic diamines and aryl chlorides of varying electron density. The Ni(0) · 2IPr (IPr = N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) complex associated to t-BuONa allowed N,N′-diarylation at 100 °C in 1,4-dioxane with excellent yields. Selective monoarylation of diamines could be performed

  研究了N-杂环卡宾的镍配合物对电子密度不同的芳族二胺和芳基氯化物之间的C-N偶联反应的影响。与t - BuONa缔合的Ni（0）·2IPr（IPr =  N，N'-双（2,6-二异丙基苯基）咪唑-2-亚基）络合物可在100°C在1,4中使N，N'-二芳基化-二恶烷，收率高。二胺的选择性单芳基化反应可以在THF中于65°C进行。
• [EN] INDOLE CARBOXAMIDE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS D'INDOLE CARBOXAMIDE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2014037900A1

  公开（公告）日：2014-03-13

  A compound of Formula (I) is provided that has been shown to be useful for treating a disease, disorder or syndrome that is mediated by the transportation of essential molecules in the mmpL3 pathway: (I) wherein R1, R2, R3, R4, R5 and R6 are as defined herein.

  提供了一种化合物，其化学式为（I），已被证明对治疗通过mmpL3途径中的必需分子的运输介导的疾病、紊乱或综合症具有益处：（I）其中R1、R2、R3、R4、R5和R6如本文所定义。
• Rational design of agonists for bitter taste receptor TAS2R14: from modeling to bench and back
  作者：Antonella Di Pizio、Lukas A. W. Waterloo、Regine Brox、Stefan Löber、Dorothee Weikert、Maik Behrens、Peter Gmeiner、Masha Y. Niv

  DOI：10.1007/s00018-019-03194-2

  日期：2020.2

  Human bitter taste receptors (TAS2Rs) are a subfamily of 25 G protein-coupled receptors that mediate bitter taste perception. TAS2R14 is the most broadly tuned bitter taste receptor, recognizing a range of chemically diverse agonists with micromolar-range potency. The receptor is expressed in several extra-oral tissues and is suggested to have physiological roles related to innate immune responses

  人类苦味受体（TAS2Rs）是介导苦味感知的25 G蛋白偶联受体的一个亚家族。TAS2R14是最广泛调节的苦味受体，可识别一系列具有微摩尔范围效价的化学多样性激动剂。该受体在几种口腔外组织中表达，并被认为具有与先天免疫反应，雄性育性和癌症有关的生理作用。需要更高效能的配体来研究TAS2R14的功能并对其进行调节以用于未来的临床应用。在这里，描述了一种基于结构的建模方法，用于设计从氟苯那酸开始的TAS2R14激动剂的设计，氟苯那酸是一种批准的非甾体类抗炎镇痛药，可在亚微摩尔浓度下激活TAS2R14。基于结构的分子建模与实验数据相结合，以设计新的TAS2R14激动剂。随后的化学合成和体外分析产生了新的TAS2R14激动剂，与先导相比具有更高的效价。集成方法为配体-TAS2R14相互作用提供了经过验证和完善的结构模型，以及在没有紧密相关实验结构的情况下基于结构的发现的通用框架。