5-(2-(3-氨基-4-氯苯基)二磺酰基)-2-氯苯胺 | 1349338-07-3

• 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: 5-(2-(3-氨基-4-氯苯基)二磺酰基)-2-氯苯胺
• 英文名称: 3,3'-disulfanediylbis(6-chloroaniline)
• 英文别名: 3,3'-disulphanediylbis(6-chloroaniline)；5,5'-disulfanediylbis(2-chloroaniline)；5,5'-Disulfanediylbis(2-chloroaniline)；5-[(3-amino-4-chlorophenyl)disulfanyl]-2-chloroaniline
• CAS: 1349338-07-3
• 化学式: C₁₂H₁₀Cl₂N₂S₂
• 分子量: 317.263
• InChiKey: NJYNNWAPVXBAQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  5-(2-(3-氨基-4-氯苯基)二磺酰基)-2-氯苯胺 、 Methyl-(3-trifluoromethyl-phenyl)-cyanamide 在 盐酸 作用下， 以 乙醚 、 水 、 甲苯 为溶剂， 反应 21.17h， 以35%的产率得到1,1'-(5,5′-disulfanediylbis(2-chloro-5,1-phenylene))bis(3-methyl-3-(3-(trifluoromethyl)phenyl)guanidine)
  参考文献：
  名称：

  N′-3-(Trifluoromethyl)phenyl Derivatives of N-Aryl-N′-methylguanidines as Prospective PET Radioligands for the Open Channel of the N-Methyl-d-aspartate (NMDA) Receptor: Synthesis and Structure–Affinity Relationships

  摘要：

  N-Methyl-D-aspartate (NMDA) receptor dysfunction has been linked to several neuropsychiatric disorders, including Alzheimer's disease, epilepsy, drug addiction, and schizophrenia. A radioligand that could be used with PET to image and quantify human brain. NMDA receptors in the activated "open channel" state would be useful for research on such disorders and for the development of novel therapies,: To date, no radioligands have Shown well-validated efficacy for imaging NMDA receptors in human subjects. In order to discover improved radioligands for PET imaging, we explored structure affinity relationships in N'-3-(trifluoromethyl)phenyl derivatives of N-aryl-N'-methylguanidines, seeking high affinity and moderate lipophilicity, plus necessary amenability for labeling with a positron-emitter, either carbon-11 or fluorine-18. Among a diverse set of 80 prepared N'-3-(trifluoromethyl)phenyl derivatives, four of these compounds (13, 19, 20, and 36) displayed desirable low nanomolar affinity for inhibition of [H-3](+)-MK801 at the PCP binding site and are of interest for candidate PET radioligand development.

  DOI：

  10.1021/acs.jmedchem.5b01510
• 作为产物：
  描述：

  4-氯-3-硝基苯磺酰氯 在 盐酸 、 tin(II) chloride dihdyrate 作用下， 以 水 为溶剂， 反应 3.0h， 以71%的产率得到5-(2-(3-氨基-4-氯苯基)二磺酰基)-2-氯苯胺
  参考文献：
  名称：

  N′-3-(Trifluoromethyl)phenyl Derivatives of N-Aryl-N′-methylguanidines as Prospective PET Radioligands for the Open Channel of the N-Methyl-d-aspartate (NMDA) Receptor: Synthesis and Structure–Affinity Relationships

  摘要：

  N-Methyl-D-aspartate (NMDA) receptor dysfunction has been linked to several neuropsychiatric disorders, including Alzheimer's disease, epilepsy, drug addiction, and schizophrenia. A radioligand that could be used with PET to image and quantify human brain. NMDA receptors in the activated "open channel" state would be useful for research on such disorders and for the development of novel therapies,: To date, no radioligands have Shown well-validated efficacy for imaging NMDA receptors in human subjects. In order to discover improved radioligands for PET imaging, we explored structure affinity relationships in N'-3-(trifluoromethyl)phenyl derivatives of N-aryl-N'-methylguanidines, seeking high affinity and moderate lipophilicity, plus necessary amenability for labeling with a positron-emitter, either carbon-11 or fluorine-18. Among a diverse set of 80 prepared N'-3-(trifluoromethyl)phenyl derivatives, four of these compounds (13, 19, 20, and 36) displayed desirable low nanomolar affinity for inhibition of [H-3](+)-MK801 at the PCP binding site and are of interest for candidate PET radioligand development.

  DOI：

  10.1021/acs.jmedchem.5b01510

文献信息

• N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYL SULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20140315898A1

  公开（公告）日：2014-10-23

  The present invention relates to novel N-arylamide-substituted trifluoroethyl sulfide derivatives of the formula (I) in which X 1 , X 2 , X 3 , X 4 , R 1 , R 2 , R 3 , n have the meanings given in the description—to their use as acaricides and insecticides for controlling animal pests and to processes and intermediates for their preparation

  本发明涉及公式（I）中的新型N-芳酰胺取代三氟乙基硫醚衍生物，其中X1、X2、X3、X4、R1、R2、R3、n的含义如描述所示—它们作为杀螨剂和杀虫剂用于控制动物害虫，并涉及其制备的过程和中间体。
• ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150344499A1

  公开（公告）日：2015-12-03

  The present invention relates to aryl sulphide and aryl sulphoxide derivatives, to their use as acaricides and insecticides for controlling animal pests and to processes and intermediates for their preparation. The aryl sulphide and aryl sulphoxide derivatives have the general structure (I) in which the respective radicals have the meanings given in the description.

  本发明涉及芳基硫醚和芳基亚砜衍生物，其用作杀螨剂和杀虫剂，用于控制动物害虫，并涉及其制备的过程和中间体。芳基硫醚和芳基亚砜衍生物具有一般结构（I），其中各自的基团具有描述中给出的含义。
• N-ARYLAMIDINE-SUBSTITUIERTE TRIFLUOROETHYLSULFID-DERIVATE ALS AKARIZIDE UND INSEKTIZIDE
  申请人：Bayer CropScience AG

  公开号：EP2793578B1

  公开（公告）日：2018-06-06
• METHOD AND SYNTHESIS
  申请人：Brathe Anders

  公开号：US20130060064A1

  公开（公告）日：2013-03-07

  The present invention provides a method for the preparation of a radiolabeled guanidine derivative, in particular wherein the radiolabeled guanidine derivative is a positron emission tomography (PET) tracer. Certain intermediates useful in said method are also provided, as well as means for carrying out said method in an automated fashion. The method of the invention provides advantages over known methods for the preparation of radiolabeled guanidine derivatives.
• US8633337B2
  申请人：——

  公开号：US8633337B2

  公开（公告）日：2014-01-21