5-氯-1-苯并噻吩-2-磺酰氯 | 128851-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 5-氯-1-苯并噻吩-2-磺酰氯
• 英文名称: 5-chlorobenzo[b]thiophene-2-sulfonyl chloride
• 英文别名: (5-chlorobenzo[b]thien-2-yl)sulfonyl chloride；5-chloro-1-benzothiophene-2-sulfonyl chloride；5-Chlorobenzothiophene-2-sulfonyl chloride；5-chloro-benzo[b]thiophene-2-sulfonyl chloride
• CAS: 128851-98-9
• 化学式: C₈H₄Cl₂O₂S₂
• mdl: MFCD22199596
• 分子量: 267.157
• InChiKey: BABMIQVTGOYKAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  401.2±25.0 °C(Predicted)
• 密度：
  1.652±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氯-1-苯并噻吩-2-磺酰氯 在 盐酸 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 42.3h， 生成 1-[(5-chlorobenzo[b]thien-2-yl)sulfonyl]-4-[4-(4-pyridyl)benzoyl]piperazine
  参考文献：
  名称：

  Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites

  摘要：

  Compound 7 was identified as the active metabolite of 6 by HPLC and mass spectral analysis. Modification of lead compound 7 by transformation of its N-oxide 6-6 biaryl ring system and fused aromatics produced a series of non-basic fxa inhibitors with excellent potency in anti-fXa and anticoagulant assays. The optimized compounds 73b and 75b showed sub to one digit micromolar anticoagulant activity (PTCT2). Particularly, anti-fXa activity was detected in plasma of rats orally administered with 1 mg/kg of compound 75b. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.006
• 作为产物：
  描述：

  5-氯苯并噻吩 在 叔丁基锂 、 二氧化硫 、 N-氯代丁二酰亚胺 作用下， 以 乙醚 、 正戊烷 、 二氯甲烷 为溶剂， 反应 8.0h， 以68%的产率得到5-氯-1-苯并噻吩-2-磺酰氯
  参考文献：
  名称：

  Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites

  摘要：

  Compound 7 was identified as the active metabolite of 6 by HPLC and mass spectral analysis. Modification of lead compound 7 by transformation of its N-oxide 6-6 biaryl ring system and fused aromatics produced a series of non-basic fxa inhibitors with excellent potency in anti-fXa and anticoagulant assays. The optimized compounds 73b and 75b showed sub to one digit micromolar anticoagulant activity (PTCT2). Particularly, anti-fXa activity was detected in plasma of rats orally administered with 1 mg/kg of compound 75b. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.04.006

文献信息

• NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES
  申请人：Hebeisen Paul

  公开号：US20090143448A1

  公开（公告）日：2009-06-04

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 3 have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  式(I)的化合物以及其药用可接受的盐和酯，其中R1至R3具有权利要求1中给定的含义，并可用于制成药物组合物。
• [EN] PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS<br/>[FR] DERIVES DE PIPERAZINE CONVENANT POUR LE TRAITEMENT DE TROUBLES GASTRO-INTESTINAUX
  申请人：GLAXO GROUP LTD

  公开号：WO2006010629A1

  公开（公告）日：2006-02-02

  The invention provides compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Ra, Rb, Rc, Rd, Re, Rf and Y are as defined in the specification. The compounds are partial or full agonists at the growth hormone secretagogue (GHS) receptors . Pharmaceutical compositions comprising the compounds, methods of preparing the compounds, uses of the compounds and methods involving the compounds are also provided.

  这项发明提供了式（I）的化合物或其药用盐，其中Ra、Rb、Rc、Rd、Re、Rf和Y如规范中所定义。这些化合物是生长激素分泌素（GHS）受体的部分或全激动剂。还提供了包括这些化合物的药物组合物、制备这些化合物的方法、这些化合物的用途以及涉及这些化合物的方法。
• Sulfone derivatives, process for their production and use thereof
  申请人：——

  公开号：US20030187023A1

  公开（公告）日：2003-10-02

  A compound represented by the formula: 1 wherein R is a cyclic hydrocarbon group, or the like; W is a bond, or the like; X is a divalent hydrocarbon group, or the like; Y and Z are each independently —N(R 6 )— or the like; ring A is a nitrogen-containing heterocyclic ring, or the like; R5 and R6 are independently hydrogen atom, a hydrocarbon group, or the like; Z′ is imidoyl group, or the like; a is 0, 1 or 2; and b is 0 or 1, or a salt thereof.

  一个由以下式表示的化合物： 其中R是一个环烃基团，或类似物；W是一个键，或类似物；X是一个二价碳氢基团，或类似物；Y和Z分别独立地为—N(R6)—或类似物；环A是一个含氮杂环环，或类似物；R5和R6独立地为氢原子、一个碳氢基团，或类似物；Z′是亚胺基团，或类似物；a为0、1或2；b为0或1，或其盐。
• NOVEL SULFONYL DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1104754A1

  公开（公告）日：2001-06-06

  Sulfonyl derivatives represented by the following general formula (I): Q1-Q2-T1-Q3-SO2-QA and drugs containing the same (wherein Q1 is an optionally substituted, saturated or unsaturated, five- or six-membered cyclic hydrocarbon group, a five- or six-membered heterocyclic group, or the like; Q2 is a single band, oxygen, sulfur, C1-C6 alkylene or the like; QA is optionally substituted arylalkenyl, heteroarylalkenyl or the like; and T1 is carbonyl or the like). These compounds have potent FXa-inhibitory effects and promptly exert satisfactory and persistent antithrombotic effects through oral administration, thus being useful as anticoagulant agents little accompanied with side effects.

  以下是通用公式（I）所代表的磺酰衍生物：Q1-Q2-T1-Q3-SO2-QA以及含有这些衍生物的药物（其中Q1是可选择地取代的饱和或不饱和的五元或六元环烃基团，五元或六元杂环基团等；Q2是单键，氧，硫，C1-C6烷基或类似物；QA是可选择地取代的芳基烯烃基团，杂环芳基烯烃基团或类似物；T1是羰基或类似物）。这些化合物具有强大的FXa抑制作用，并通过口服迅速产生令人满意且持久的抗血栓作用，因此可作为几乎不伴随副作用的抗凝血剂。
• Sulfonamide lactam inhibitors of FXa and method
  申请人：——

  公开号：US20040186134A1

  公开（公告）日：2004-09-23

  Sulfonamide lactams of the following formula 1 wherein X, R 1 , R 2 , R 3 , R 4 , R 4a , R 5 , R 5a , R 6 , R 6a , R 7 and R 8 are as described herein, are provided which inhibitors of Factor Xa and are useful as anticoagulants in the treatment of cardiovascular diseases associated with thromboses.

  以下式子中的磺胺酰胺内酰胺，其中X、R1、R2、R3、R4、R4a、R5、R5a、R6、R6a、R7和R8如本文所述，被提供为因子Xa的抑制剂，并且在治疗与血栓相关的心血管疾病中作为抗凝剂是有用的。