5-amino-2-chlorobenzenethiol | 97094-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 5-amino-2-chlorobenzenethiol
• CAS: 97094-83-2
• 化学式: C₆H₆ClNS
• mdl: MFCD20694766
• 分子量: 159.639
• InChiKey: SBTNBOPVNUUAQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  305.0±27.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  27
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-amino-2-chlorobenzenethiol 以 二甲基亚砜 为溶剂， 以88%的产率得到3,3'-disulfanediylbis(4-chloroaniline)
  参考文献：
  名称：

  [EN] MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 4
  [FR] MODULATEURS DU RÉCEPTEUR DU GLUTAMATE MÉTABOTROPIQUE 4

  摘要：

  本申请提供了可以用作变构位置发射断层扫描（PET）成像探针的吡啶甲酰胺化合物。同时还提供了利用这些化合物治疗神经退行性疾病的方法。

  公开号：

  WO2020146515A1
• 作为产物：
  描述：

  3-溴-4-氯苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 2.5h， 生成 5-amino-2-chlorobenzenethiol
  参考文献：
  名称：

  Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase

  摘要：

  Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enone using structure-based design strategies resulted in inhibitors with considerable improvement in biochemical potency against human lactate dehydrogenase A (LDHA). These potent inhibitors were typically selective for LDHA over LDHB isoform (4-10 fold) and other structurally related malate dehydrogenases, MDH1 and MDH2 (>500 fold). An X-ray crystal structure of enzymatically most potent molecule bound to LDHA revealed two additional interactions associated with enhanced biochemical potency. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.008

文献信息

• [EN] ANTHELMINTIC AGENTS AND THEIR USE<br/>[FR] AGENTS ANTHELMINTIQUES ET LEUR UTILISATION
  申请人：INTERVET INT BV

  公开号：WO2010115688A1

  公开（公告）日：2010-10-14

  This invention is directed to compounds and salts that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds and salts, pharmaceutical compositions and kits comprising the compounds and salts, uses of the compounds and salts to make medicaments, and treatments comprising the administration of the compounds and salts to animals in need of the treatments.

  这项发明涉及一般用作驱虫剂或作为制备驱虫剂的中间体的化合物和盐。这项发明还涉及制备这些化合物和盐的方法，包括这些化合物和盐的药物组合物和试剂盒，使用这些化合物和盐制备药物，以及将这些化合物和盐用于需要治疗的动物的治疗方法。
• 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。
• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR INHIBER L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2016203405A1

  公开（公告）日：2016-12-22

  The present invention relates to compounds of formula I. The compounds are inhibitors of the Src Homolgy-2 phosphatase (SHP2) and thus useful in the treatment of Noonan Syndrome, Leopard Syndrome and cancer.

  本发明涉及式I的化合物。这些化合物是Src同源-2磷酸酶（SHP2）的抑制剂，因此在努南综合征、豹纹综合征和癌症的治疗中有用。
• Improved synthesis of the thiophenol precursor N-(4-chloro-3-mercaptophenyl)picolinamide for making the mGluR4 PET ligands
  作者：Junfeng Wang、Timothy M. Shoup、Anna-Liisa Brownell、Zhaoda Zhang

  DOI：10.1016/j.tet.2019.06.010

  日期：2019.7

  However, the previously reported multi-step synthesis of the thiophenol precursor suffered from low yields and difficult workup procedures. To support the translational research of [11C]mG4P012 and the other potential applications, we have developed a new route for synthesis of the thiophenol precursor and optimized the reaction conditions. The synthesis of N-(4-chloro-3-mercaptophenyl)picolinamide

  最近，[ 11 C] mG4P012（以前是[ 11 C] KALB012，现在被Prexton Therapeutics命名为[ 11 C] PXT012253）在潜在治疗药物PXT0002331（mGluR4 PAM）的临床前开发中被用作生物标志物。 PD和1-多巴引起的运动障碍。[ 11 C] mG4P012被证明是猴脑中mGluR4以及人类受试者进一步发展的有前途的PET放射性配体。然而，先前报道的硫酚前体的多步合成遭受产率低和后处理程序困难的困扰。支持[ 11C] mG4P012和其他潜在的应用，我们已经开发出了一种新的合成苯硫酚前体的途径，并优化了反应条件。由1-氯-4-硝基苯合成N-（4-氯-3-巯基苯基）吡啶甲酸酰胺的总收率从8％提高到52％，并且易于处理且克级。
• 2-Substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04902832A1

  公开（公告）日：1990-02-20

  A compound of the formula: ##STR1## wherein R.sub.1 is a hydrogen atom, a fluorine atom or a methyl group and R.sub.2 is as C.sub.1 -C.sub.3 alkyl group, a C.sub.1 -C.sub.5 alkoxy group, a chloro(C.sub.2 -C.sub.4)alkoxy group, a dichloro(C.sub.2 -C.sub.4)alkoxy group, a cyclo(C.sub.3 -C.sub.7)alkoxy group, a phenoxy group, a C.sub.1 -C.sub.5 alkylthio group or a di(C.sub.1 -C.sub.5)alkylamino group, which is useful as a herbicide.

  一种化合物的化学式：##STR1## 其中R.sub.1是氢原子、氟原子或甲基基团，R.sub.2是C.sub.1 -C.sub.3烷基基团、C.sub.1 -C.sub.5烷氧基团、氯代(C.sub.2 -C.sub.4)烷氧基团、二氯代(C.sub.2 -C.sub.4)烷氧基团、环(C.sub.3 -C.sub.7)烷氧基团、苯氧基团、C.sub.1 -C.sub.5烷基硫基团或双(C.sub.1 -C.sub.5)烷基氨基团，用作除草剂。