3-氧代-2,3-二氯-1,2-苯异硫唑-6-羧酸 1,1-二氧化物 | 90779-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 3-氧代-2,3-二氯-1,2-苯异硫唑-6-羧酸 1,1-二氧化物
• 中文别名: 3-氧代-2,3-二氯-1,2-苯异硫唑-6-羧酸1,1-二氧化物
• 英文名称: 3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide
• 英文别名: 1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid；saccharin-6-carboxylic acid；1,1,3-trioxo-2,3-dihydro-1λ⁶-benz[d]isothiazole-6-carboxylic acid；1,1,3-Trioxo-2,3-dihydro-1λ⁶-benz[d]isothiazol-6-carbonsaeure
• CAS: 90779-46-7
• 化学式: C₈H₅NO₅S
• mdl: MFCD01106041
• 分子量: 227.197
• InChiKey: DVKWMYALCCTNKN-UHFFFAOYSA-N

物化性质

• 密度：
  1.745±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 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：
  109
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934991000

反应信息

• 作为反应物：
  描述：

  3-氧代-2,3-二氯-1,2-苯异硫唑-6-羧酸 1,1-二氧化物 在 五氯化磷 、 三氯氧磷 作用下， 以85%的产率得到1,1,3-Trioxo-1,2-benzothiazole-6-carbonyl chloride
  参考文献：
  名称：

  摘要：

  A series of bis(amido sulfimides) were prepared by condensation of 2-sulfoterephthalic acid imide chloride with aliphatic and aromatic diamines.

  DOI：

  10.1023/a:1024691721403
• 作为产物：
  描述：

  2,5-二甲基-苯磺酰胺 在 chromium(VI) oxide 、 高碘酸 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以75%的产率得到3-氧代-2,3-二氯-1,2-苯异硫唑-6-羧酸 1,1-二氧化物
  参考文献：
  名称：

  Oxidative cyclization of N-alkyl-o-methyl-arenesulfonamides to biologically important saccharin derivatives

  摘要：

  Various biologically important saccharin skeletons and their N-alkyl derivatives have been efficiently prepared by chromium(VI) oxide catalyzed H5IO6 oxidation of N-alkyl-o-methyl-arenesulfonamides in acetonitrile. N-tert-Butyl saccharin skeletons were easily prepared by H5IO6-CrO3 oxidation of N-tert-butyl-o-methyl arenesulfonamides in the presence of acetic anhydride. The method that furnished the novel fluoro and trifluoromethyl substituted saccharin skeletons is characterized by two steps, a simple work-up procedure, a single purification and good overall yields from substituted toluene derivatives. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.05.038

文献信息

• [EN] INHIBITORS OF CD40-CD154 BINDING<br/>[FR] INHIBITEURS DE LIAISON CD40-CD154
  申请人：TONIX PHARMACEUTICALS HOLDING CORP

  公开号：WO2020210831A1

  公开（公告）日：2020-10-15

  Disclosed herein are compounds including pharmaceutically acceptable salts, esters, prodrugs, hydrates and tautomers thereof which modulate the interactions of CD-40-CD40L. The compounds are useful for treating, ameliorating or preventing an autoimmune disease, inflammatory disease, or other immune-related disease in a patient in need of treatment.

  本文披露了包括药用可接受的盐、酯、前药、水合物和互变异构体在内的化合物，这些化合物调节CD-40-CD40L的相互作用。这些化合物可用于治疗、改善或预防患有自身免疫疾病、炎症性疾病或其他免疫相关疾病的患者。
• LPA2 Receptor-Specific Benzoic Acid Derivatives
  申请人：University of Tennessee Research Foundation

  公开号：US20140057936A1

  公开（公告）日：2014-02-27

  Disclosed are compounds effective for inhibiting cellular apoptosis and for protecting cells and tissues from the apoptotic effects of chemotherapeutic agents and/or ionizing radiation. Compounds of the invention act as agonists of the LPA 2 receptor. Compounds of the invention comprise non-lipid benzoic acid derivatives.

  本发明揭示了一种有效抑制细胞凋亡并保护细胞和组织免受化疗药物和/或电离辐射凋亡影响的化合物。本发明的化合物作为LPA2受体的激动剂。本发明的化合物包括非脂肪苯甲酸衍生物。
• Design, synthesis, SAR, and biological evaluation of saccharin‐based hybrids as carbonic anhydrase inhibitors
  作者：Krishna K. Chinchilli、Venkata N. Royyala、Pavitra S. Thacker、Andrea Angeli、Srikanth Danaboina、Priti Singh、Srinivas Nanduri、Claudiu T. Supuran、Mohammed Arifuddin

  DOI：10.1002/ardp.202200019

  日期：2022.8

  activity against four important human CA (hCA) isoforms: hCA I, hCA II, hCA IX, and hCA XII. Compounds 8a and 8f emerged as potent hCA II inhibitors (Ki = 3 µM). Compounds 6d, 6e and 7a, 7b were highly selective against hCA IX (6d, 6e) and hCA II (7a, 7b), with moderate inhibitory activity. The activity of these compounds was further confirmed by performing in silico docking studies against hCA II and hCA

  糖精是一种环状二级磺酰胺，与许多初级磺酰胺相比，它是肿瘤相关碳酸酐酶 (CA; EC 4.2.1.1) 酶 CA IX 和 CA XII 的选择性抑制剂。在这项研究中，合成了新的 saccharin-1,2,3-triazole 和 saccharin-1,2,4-oxadiazole 杂化物。筛选了所有新合成的分子对四种重要的人类 CA (hCA) 同种型的 CA 抑制活性：hCA I、hCA II、hCA IX 和 hCA XII。化合物8a和8f成为有效的 hCA II 抑制剂 ( K i  = 3 µM)。化合物6d、6e和7a、7b对 hCA IX ( 6d, 6e ) 和 hCA II ( 7a, 7b ) 具有高度选择性)，具有中等抑制活性。通过针对 hCA II 和 hCA IX 进行计算机对接研究进一步证实了这些化合物的活性。
• Ccr5 antagonists as therapeutic agents
  申请人：Kazmierski Mieczyslaw Wieslaw

  公开号：US20060229336A1

  公开（公告）日：2006-10-12

  The present invention relates to compounds of formula (I) or a pharmaceutically acceptable derivatives thereof, useful in the treatment of prophylazis of CCR5-related diseases and disorders, for example, in the inhibition of HIV replication, the prevention or treatment of HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及式(I)化合物或其药学上可接受的衍生物，用于预防CCR5相关疾病和障碍的治疗，例如，抑制HIV复制，预防或治疗HIV感染，以及治疗由此产生的获得性免疫缺陷综合症（AIDS）。
• Substituted Aminobutyric Derivatives as Neprilysin Inhibitors
  申请人：Coppola Gary Mark

  公开号：US20120252830A1

  公开（公告）日：2012-10-04

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , X and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了公式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、X和n在此定义。本发明还涉及制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。