4-(2氢-四唑-5)苯磺酰氯 | 924964-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(2氢-四唑-5)苯磺酰氯
• 英文名称: 4-(2H-tetrazol-5-yl)benzene-1-sulfonyl chloride
• 英文别名: 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
• CAS: 924964-20-5
• 化学式: C₇H₅ClN₄O₂S
• mdl: MFCD18432765
• 分子量: 244.661
• InChiKey: HXFGIDWWUVWVHT-UHFFFAOYSA-N

物化性质

• 沸点：
  447.7±47.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-(2氢-四唑-5)苯磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 32.0h， 生成 4-(2-(1-(5-fluoropyridin-2-yl)ethyl)-2H-tetrazol-5-yl)-N-(2-hydroxyethyl)benzenesulfonamide
  参考文献：
  名称：

  [EN] NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS
  [FR] NOUVEAUX COMPOSÉS DE TÉTRAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DE LA TUBERCULOSE

  摘要：

  这项发明涉及到式（I）的化合物或其药用盐以及它们在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病，如结核病。

  公开号：

  WO2019034729A1

文献信息

• SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR
  申请人：Glaxo Group Limited

  公开号：US20140243362A1

  公开（公告）日：2014-08-28

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators of formula (I), processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ wherein R 1 to R 7 are as defined in claim 35.

  本发明涉及一种新型的与视黄醇相关孤儿受体γ（RORγ）调节剂，其化学式为（I），以及用于制备这些调节剂的方法，含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症、代谢和自身免疫疾病中的应用，其中R1至R7如权利要求35所定义。
• [EN] SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR<br/>[FR] COMPOSÉS DE SULFONAMIDE ET LEUR UTILISATION DANS LA MODULATION DU RÉCEPTEUR ORPHELIN APPARENTÉ AU RÉCEPTEUR DES RÉTINOÏDES
  申请人：GLAXO GROUP LTD

  公开号：WO2013045431A1

  公开（公告）日：2013-04-04

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORy) modulators of formula (I), processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORy wherein R1 to R7 are as defined in claim 1.

  本发明涉及一种新型的与视黄醇相关孤儿受体γ（RORγ）调节剂，其化学式为（I），以及制备这些调节剂的方法、含有这些调节剂的药物组合物，以及它们在治疗由RORγ介导的炎症性、代谢性和自身免疫性疾病中的应用，其中R1至R7如权利要求1所定义。
• Regiospecific Synthesis of N2-Aryl 1,2,3-Triazoles from 2,5-Disubstituted Tetrazoles via Photochemically Generated Nitrile Imine Intermediates
  作者：Robert Harris、Craig Jamieson、Sam Stewart

  DOI：10.1055/s-0034-1379010

  日期：——

  The synthesis of N2-aryl 1,2,3-triazoles from 2,5-disubstituted tetrazoles was achieved under photochemical conditions. This simple and mild one-step reaction provides regiospecific access to 2,4,5-substituted 1,2,3-triazoles via a nitrile imine intermediate. Syntheses of alkyl and heterocylic derivatives were also investigated.

  在光化学条件下，由 2,5-二取代四唑合成 N2-芳基 1,2,3-三唑。这种简单而温和的一步反应通过腈亚胺中间体提供了对 2,4,5-取代的 1,2,3-三唑的区域特异性访问。还研究了烷基和杂环衍生物的合成。
• Sulfonamide compounds and their use in the modulation retinoid-related orphan receptor
  申请人：Glaxo Group Limited

  公开号：US09150508B2

  公开（公告）日：2015-10-06

  The present invention is directed to novel retinoid-related orphan receptor gamma (RORγ) modulators of formula (I), processes for their preparation, pharmaceutical compositions containing these modulators, and their use in the treatment of inflammatory, metabolic and autoimmune diseases mediated by RORγ wherein R1 and R2 are independently selected from the group consisting of H, CF3, halo, C1-3alkyl and C1-3-alkoxy; R3 and R4 are independently selected from the group consisting of H, CF3, halo, CH3 and OCH3; R5 is selected from the group consisting of H, CF3, halo, OH, CH2OH, C1-4alkyl, CH2-cyclopropyl and C1-4alkoxy, wherein C1-4alkyl and C1-4alkoxy, may be optionally substituted with one or two OH substituents; R6 is selected from the group consisting of C3-5alkyl and —CH2—C3-4cycloalkyl; R7 is selected from the group consisting of R8 is selected from the group consisting of C1-3alkyl, C1-3alkoxy, CH2CN, CH2OH, OH, CN and halo; R9 is the group —(CHR10)s—(X)t—(CHR10)u—R11; each R10 is independently selected from the group consisting of H, OH or CH2OH; R11 is an isoxazole, —C(O)OH, or a 5- or 6-membered heteroaryl group, wherein the isoxazole or the 5- or 6-membered heteroaryl group may be optionally substituted with one or two halo, NH2 or CH3 substituents; X is CH2, NH, O; r is 0, 1 or 2; s is 0, 1 or 2; t is 0 or 1;\ u is 0, 1 or 2; with the proviso that no more than two R10 groups represent OH or CH2OH.

  本发明涉及一种新型视黄醇相关孤儿受体γ（RORγ）调节剂，其化学式为（I），以及制备这些调节剂的方法、含有这些调节剂的制药组合物以及它们在治疗由RORγ介导的炎症、代谢和自身免疫性疾病中的应用。其中，R1和R2独立地选自于H、CF3、卤素、C1-3烷基和C1-3-烷氧基的群；R3和R4独立地选自于H、CF3、卤素、CH3和OCH3的群；R5选自于H、CF3、卤素、OH、CH2OH、C1-4烷基、CH2-环丙基和C1-4烷氧基的群，其中C1-4烷基和C1-4烷氧基可以选择性地被一个或两个OH取代；R6选自于C3-5烷基和-CH2-C3-4环烷基的群；R7选自于的群；R8选自于C1-3烷基、C1-3烷氧基、CH2CN、CH2OH、OH、CN和卤素的群；R9是-（CHR10）s-（X）t-（CHR10）u-R11的群；每个R10独立地选自于H、OH或CH2OH的群；R11是异噁唑、-C（O）OH或5-或6-成员杂环基团，其中异噁唑或5-或6-成员杂环基团可以选择性地被一个或两个卤素、NH2或CH3取代；X是CH2、NH或O；r为0、1或2；s为0、1或2；t为0或1；u为0、1或2；但不得超过两个R10基团表示OH或CH2OH。
• Tetrazole compounds and their use in the treatment of tuberculosis
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED

  公开号：US11072591B2

  公开（公告）日：2021-07-27

  The invention relates to a compound of Formula (I) or a pharmaceutically acceptable salt thereof and their use in therapy, for example in the treatment of mycobacterial infections or in the treatment of diseases caused by Mycobacterium, such as tuberculosis.

  本发明涉及式（I）化合物或其药学上可接受的盐及其在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病（如结核病）中的应用。