2-氯-5-(氯磺酰)-4-氟苯甲酰氯化 | 866763-17-9

• 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: 2-氯-5-(氯磺酰)-4-氟苯甲酰氯化
• 英文名称: 2-chloro-5-(chlorosulfonyl)-4-fluorobenzoyl chloride
• 英文别名: 2-Chloro-5-(chlorosulfonyl)-4-fluorobenzoyl chloride；2-chloro-5-chlorosulfonyl-4-fluorobenzoyl chloride
• CAS: 866763-17-9
• 化学式: C₇H₂Cl₃FO₃S
• 分子量: 291.514
• InChiKey: LARUSNHLTMTCIV-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±42.0 °C(Predicted)
• 密度：
  1.728±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338
• 危险品运输编号：
  3261
• 危险性描述：
  H302,H318
• 包装等级：
  III
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-氯-5-(氯磺酰)-4-氟苯甲酰氯化 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-氯-2-氟-N-(2-氟苯基)-5-[[((8aR)-六氢吡咯并[1,2-a]吡嗪-2(1H)-基]羰基]苯磺酰胺
  参考文献：
  名称：

  Optimization of ADME Properties for Sulfonamides Leading to the Discovery of a T-Type Calcium Channel Blocker, ABT-639

  摘要：

  The discovery of a novel peripherally acting and selective Ca(v)3.2 T-type calcium channel blocker, ABT-639, is described. HTS hits 1 and 2, which have poor metabolic stability, were optimized to obtain 4, which has improved stability and oral bioavailability. Modification of 4 to further improve ADME properties led to the discovery of ABT-639. Following oral administration, ABT-639 produces robust antinociceptive activity in experimental pain models at doses that do not significantly alter psychomotor or hemodynamic function in the rat.

  DOI：

  10.1021/acsmedchemlett.5b00023
• 作为产物：
  描述：

  2-氯-4-氟苯甲酸 在 氯磺酸 作用下， 生成 2-氯-5-(氯磺酰)-4-氟苯甲酰氯化
  参考文献：
  名称：

  Structure–activity relationships of novel potent MurF inhibitors

  摘要：

  A novel class of MurF inhibitors was discovered and structure-activity relationship studies have led to several potent compounds with IC50 = 22 similar to 70 nM. Unfortunately, none of these potent MurF inhibitors exhibited significant antibacterial activity even in the presence of bacterial cell permeabilizers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.073

文献信息

• [EN] NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS<br/>[FR] NOUVEAUX BENZÈNESULFONAMIDES COMME BLOQUEURS DE CANAUX CALCIQUES
  申请人：ABBOTT LAB

  公开号：WO2010083264A1

  公开（公告）日：2010-07-22

  The present application relates to calcium channel inhibitors comprising compounds of formula (I), formula (II), formula (III), or formula (IV), wherein L1, R1, R2, R3, R4, R5, R6, R7 and Rc are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及包括公式(I)、公式(II)、公式(III)或公式(IV)化合物的钙通道抑制剂，其中L1、R1、R2、R3、R4、R5、R6、R7和Rc如说明书中所定义。本申请还涉及包含此类化合物的组合物，以及使用此类化合物和组合物治疗状况和疾病的方法。
• [EN] CYCLIC INHIBITORS OF HEPATITIS B VIRUS<br/>[FR] INHIBITEURS CYCLIQUES DU VIRUS DE L'HÉPATITE B
  申请人：OSPEDALE SAN RAFFAELE SRL

  公开号：WO2020016434A1

  公开（公告）日：2020-01-23

  The present invention relates to compounds that are inhibitors of hepatitis B virus (HBV). Compounds of this invention are useful alone or in combination with other agents for treating, ameliorating, preventing or curing HBV infection and related conditions. The present invention also relates to pharmaceutical compositions containing said compounds.

  本发明涉及抑制乙型肝炎病毒（HBV）的化合物。本发明的化合物可单独使用或与其他药剂结合用于治疗、改善、预防或治愈HBV感染及相关疾病。本发明还涉及含有上述化合物的药物组合物。
• Site-specific covalent labeling of His-tag fused proteins with a reactive Ni(ii)–NTA probe
  作者：Sho-hei Uchinomiya、Hiroshi Nonaka、Sho-hei Fujishima、Shinya Tsukiji、Akio Ojida、Itaru Hamachi

  DOI：10.1039/b912025d

  日期：——

  A new method for covalent labeling of a His-tag fused protein with a small reactive probe was developed; this method is based on the complementary interaction between the His-tag and Ni(II)–NTA, which facilitates a nucleophilic reaction between a histidine residue of the tag and the electrophilictosyl group of the Ni(II)–NTA probe by the proximity effect.

  该方法基于His标签与Ni(II)âNTA之间的互补作用，通过邻近效应促进标签的组氨酸残基与Ni(II)âNTA探针的亲电基之间发生亲核反应。
• [EN] INHIBITORS OF HEPATITIS B VIRUS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE B
  申请人：OSPEDALE SAN RAFFAELE SRL

  公开号：WO2020016427A1

  公开（公告）日：2020-01-23

  The present invention relates to compounds that are inhibitors of hepatitis B virus (HBV). Compounds of this invention are useful alone or in combination with other agents for treating, ameliorating, preventing or curing HBV infection and related conditions. The present invention also relates to pharmaceutical compositions containing said compounds.

  本发明涉及抑制乙型肝炎病毒（HBV）的化合物。本发明的化合物可单独使用或与其他药剂结合，用于治疗、改善、预防或治愈HBV感染及相关疾病。本发明还涉及含有上述化合物的药物组合物。
• NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS
  申请人：Zhang Qingwei

  公开号：US20100197693A1

  公开（公告）日：2010-08-05

  The present application relates to calcium channel inhibitors comprising compounds of formula (I), formula (II), formula (III), or formula (IV), wherein L 1 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R c are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及到含有式(I)、式(II)、式(III)或式(IV) 化合物的钙通道抑制剂，其中L1、R1、R2、R3、R4、R5、R6、R7和R8在说明书中有定义。本申请还涉及到包含这些化合物的组合物，以及使用这些化合物和组合物治疗疾病和病症的方法。