3,5-二氯苯脒 | 188257-67-2

• 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: 3,5-二氯苯脒
• 英文名称: 3,5-dichlorobenzamidine hydrochloride
• 英文别名: 3,5-Dichloro-benzamidine；3,5-dichlorobenzenecarboximidamide
• CAS: 188257-67-2
• 化学式: C₇H₆Cl₂N₂
• 分子量: 189.044
• InChiKey: QJOTULWNKIGVIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  296.0±50.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3,5-二氯苯脒 在 sodium ethanolate 、 肼 、 三氯氧磷 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 2-(3,5-Dichloro-phenyl)-4-(3-methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  3,5-二氯苯腈 在 盐酸 、 lithium hexamethyldisilazane 作用下， 生成 3,5-二氯苯脒
  参考文献：
  名称：

  The synthesis of tritiated 2-phenyl-4-[4-(2-pyrimidyl)piperazinyl]methylimidazole ([3H] NGD 94-1), a ligand selective for the dopamine D4 receptor subtype

  摘要：

  A tritiated ligand for the dopamine D-4 receptor subtype, 2-phenyl-4-[4-(2-pyrimidyl) piperazinyl] methylimidazole ([H-3] NGD 94-1), was prepared in six steps starting with 3, 5-dichlorobenzonitrile. NGD 94-1 was shown to have a greater than 500 fold specificity for D-4 over other dopamine receptor subtypes.

  DOI：

  10.1002/(sici)1099-1344(199702)39:2<123::aid-jlcr959>3.0.co;2-w

文献信息

• Micelles catalyzed one pot regio- and chemoselective synthesis of benzo[a]phenazines and naphtho[2,3-d]imidazoles ‘in H2O’
  作者：Vishnu K. Tandon、Manoj K. Verma、Hardesh K. Maurya、Sandeep Kumar

  DOI：10.1016/j.tetlet.2014.09.103

  日期：2014.11

  An efficient, novel, and concise one pot regio- and chemoselective synthesis of benzo[a]phenazines (4) and naphtho[2,3-d]imidazoles (8) has been accomplished in excellent yields by nucleophilic substitution reaction of 2,3-dichloro-1,4-naphthoquinone (1) with o-phenylenediamine (2) and benzamidines (7) respectively ‘in H2O’ using base and micelles (SDS) as catalyst. Analog reaction of 2,3-dichloro-1

  通过2,3的亲核取代反应，以优异的收率实现了高效，新颖，简洁的一锅区域和化学选择性合成苯并[ a ]吩嗪（4）和萘并[2,3- d ]咪唑（8）。 -二氯-1,4-萘醌（1）与邻苯二胺（2）和联am（7）分别在碱和胶束（SDS）的催化下在H 2 O中形成。在相同条件下2,3-二氯-1,4-萘醌（1）与2-氨基苯硫酚（9）的模拟反应导致形成苯并[ b]的混合物]吩噻嗪（10），苯并[ a ]吩噻嗪（11）和苯并[ a ] -1,4-苯并噻嗪基-3,2-吩噻嗪（12）的产率分别为17％，23％和57％。
• Prenylation inhibitors and methods of their synthesis and use
  申请人：——

  公开号：US20040116425A1

  公开（公告）日：2004-06-17

  The present invention is directed to compounds useful in the treatment of diseases associated with prenylation of proteins and pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising same, and to methods for inhibiting protein prenylation in an organism using the same.

  本发明涉及与蛋白质前醇化相关的疾病治疗中有用的化合物及其药用盐，涉及包含相同化合物的药物组合物，以及使用这些化合物在生物体中抑制蛋白质前醇化的方法。
• PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE
  申请人：Brown B. Bradley

  公开号：US20080119524A1

  公开（公告）日：2008-05-22

  The present invention is directed to compounds useful in the treatment of diseases associated with prenylation of proteins and pharmaceutically acceptable salts thereof, to pharmaceutical compositions comprising same, and to methods for inhibiting protein prenylation in an organism using the same.

  本发明涉及与蛋白质前醇化相关的疾病治疗中有用的化合物及其药学上可接受的盐，包括含有该化合物的制药组合物，以及使用该化合物在生物体内抑制蛋白质前醇化的方法。
• NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：US20160172604A1

  公开（公告）日：2016-06-16

  A compound represented by the following formula (1): wherein in the formula, L 1 is a single bond or a linking group, A is a group represented by the following formula (A), B is a group represented by the following formula (B), m is an integer of 1 to 3, and n is an integer of 1 to 4.

  以下式子(1)所代表的化合物：其中在式子中，L1是单键或连接基团，A是由以下式子(A)所代表的基团，B是由以下式子(B)所代表的基团，m为1到3的整数，n为1到4的整数。
• PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE
  申请人：Pharmaco Investments, Inc.

  公开号：EP1534680B1

  公开（公告）日：2012-02-22