3-chloro-2-methoxybenzenesulfonyl chloride | 847652-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-2-methoxybenzenesulfonyl chloride
• 英文别名: 3-chloro-2-methoxylphenylsulfonyl chloride
• CAS: 847652-81-7
• 化学式: C₇H₆Cl₂O₃S
• mdl: MFCD18393567
• 分子量: 241.095
• InChiKey: UFESGJFEJHJCON-UHFFFAOYSA-N

物化性质

• 沸点：
  341.8±32.0 °C(Predicted)
• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-methoxybenzenesulfonyl chloride 在 吡啶 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene)-3-chloro-2-methoxybenzenesulfonamide
  参考文献：
  名称：

  Studies of non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: Synthesis and structure–activity relationships of 2-cyano and 2-hydroxy thiazolidenebenzenesulfonamide derivatives

  摘要：

  In a previous study, we described the structure-activity relationships (SARs) for a series of thiazolidenebenzenesulfonamide derivatives. These compounds were found to be highly potent inhibitors of the wild type (WT) and Y181C mutant reverse transcriptases (RTs) and modest inhibitors of K 103N RT. These molecules are thus considered to be a novel class of non-nucleoside HIV-1 RT inhibitors (NNRTIs). In this paper, we have examined the effects of substituents on both the thiazolidene and benzenesulfonamide moieties. Introduction of a 2-cyanophenyl ring into these moieties significantly enhanced anti-HIV-1 activity, whereas a 2-hydroxyphenyl group endowed potent activity against RTs, including K103N and Y181C mutants. Among the series of molecules examined, 101 and 18b (YM-228855), combinations of 2-cyanophenyl and 4-methyl-5-isopropylthiazole moieties, showed extremely potent anti-HIV-1 activity. The EC50 values of 101 and 18b were 0.0017 and 0.0018 muM, respectively. These values were lower than that of efavirenz (3). Compound 11g (YM-215389), a combination of 2-hydroxyphenyl and 4-chloro-5-isopropylthiazole moieties, proved to be the most active against both K103N and Y181C RTs with IC50 values of 0.043 and 0.013 muM, respectively. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.11.045
• 作为产物：
  描述：

  2-氯苯甲醚 在 仲丁基锂 、 二氧化硫 、 N-氯代丁二酰亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 以27%的产率得到3-chloro-2-methoxybenzenesulfonyl chloride
  参考文献：
  名称：

  [EN] SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS
  [FR] COMPOSÉS SULFONAMIDES ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE TNAP

  摘要：

  本发明描述了调节TNAP活性的化合物。在某些实施例中，本发明描述的化合物抑制TNAP。在某些实施例中，本发明描述的化合物可用于治疗与过度矿化相关的病症。

  公开号：

  WO2013126608A1

文献信息

• Novel compounds, their use and preparation
  申请人：——

  公开号：US20020165251A1

  公开（公告）日：2002-11-07

  The invention provides 2, 3-, 4- or 5-substituted-N1-(arylsulfonyl)indole and (heteroaryl)indole compounds of the general formula (I): 1 in which Ar, R 2 , R 3 , R 4 and R 5 are as defined in the specification. The compounds bind to the 5-HT 6 receptor and are useful for the treatment and prophylaxis of disorders mediated by the 5-HT 6 receptor, such as obesity and CNS disorders.

  这项发明提供了一般式(I)中的2,3-,4-或5-取代-N1-(芳基磺酰基)吲哚和(杂环基)吲哚化合物： 其中Ar，R2，R3，R4和R5如规范中定义。这些化合物与5-HT6受体结合，并可用于治疗和预防由5-HT6受体介导的疾病，如肥胖和中枢神经系统疾病。
• Trisubstituted nitrogen modulators of tyrosine phosphatases
  申请人：Semple E. Joseph

  公开号：US20060135773A1

  公开（公告）日：2006-06-22

  Compounds, compositions and methods are provided for modulating the activity of protein tyrosine phosphatases, including PTP-1B. In one embodiment, the compounds are N,N-dibenzylarylsulfonamides.

  提供了调节蛋白酪氨酸磷酸酶（包括PTP-1B）活性的化合物、组合物和方法。在一种实施例中，该化合物为N，N-二苯甲基芳基磺酰胺。
• SULFONAMIDE COMPOUNDS AND USES AS TNAP INHIBITORS
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20150011551A1

  公开（公告）日：2015-01-08

  Described herein are compounds that modulate the activity of TNAP. In some embodiments, the compounds described herein inhibit TNAP. In certain embodiments, the compounds described herein are useful in the treatment of conditions associated with hyper-mineralization.

  本文描述了调节TNAP活性的化合物。在某些实施例中，所述化合物抑制TNAP。在某些实施例中，所述化合物对于治疗与高矿化相关的疾病是有用的。
• Sulfonamide compounds and uses as TNAP inhibitors
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US10370333B2

  公开（公告）日：2019-08-06

  Described herein are compounds that modulate the activity of TNAP. In some embodiments, the compounds described herein inhibit TNAP. In certain embodiments, the compounds described herein are useful in the treatment of conditions associated with hyper-mineralization.

  本文所述化合物可调节 TNAP 的活性。在某些实施方案中，本文所述化合物可抑制 TNAP。在某些实施方案中，本文所述化合物可用于治疗与过度矿化相关的疾病。
• TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES
  申请人：Cengent Therapeutics, Inc.

  公开号：EP1765332A2

  公开（公告）日：2007-03-28