2,1,3-苯并噻二唑-5-磺酰氯 | 337508-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 中文名称: 2,1,3-苯并噻二唑-5-磺酰氯
• 中文别名: 2,6-二氨基-3-氰基-4-甲基吡啶
• 英文名称: 2,1,3-benzothiadiazole-5-sulfonyl chloride
• CAS: 337508-60-8
• 化学式: C₆H₃ClN₂O₂S₂
• 分子量: 234.687
• InChiKey: PFLLNLOVUWBRRX-UHFFFAOYSA-N

物化性质

• 熔点：
  69 °C
• 沸点：
  359.4±15.0 °C(Predicted)
• 密度：
  1.723±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 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：
  96.5
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,1,3-苯并噻二唑-5-磺酰氯 在 三乙酰氧基硼氢化钠 、 三乙胺 、 原甲酸三甲酯 作用下， 以 甲醇 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 4-{(S)-3-[1-(Benzo[1,2,5]thiadiazole-5-sulfonyl)-piperidin-4-ylamino]-2-hydroxy-propoxy}-1,3-dihydro-benzoimidazol-2-one
  参考文献：
  名称：

  Cyclic amine sulfonamides as linkers in the design and synthesis of novel human β3 adrenergic receptor agonists

  摘要：

  Piperidine, pyrrolidine, and azetidine sulfonamides were examined as linkers in designing novel human beta(3) adrenergic receptor (beta(3)-AR) agonists. The azetidine derivative 37, and piperidine derivatives 7, 8, and 13 were found to be potent beta(3)-AR agonists and have good selectivity against beta(1)- and beta(2)-AR. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00387-1

文献信息

• [EN] 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS<br/>[FR] DERIVES DE 1-(2H-PYRAZOL-3-YL)-3-{4-`1-(BENZOYL)-PIPERIDIN-4-YLMETHYL!-PHENYL}-UREE ET COMPOSES ASSOCIES UTILISES COMME INHIBITEURS DE LA KINASE P38 ET/OU COMME INHIBITEURS DU FACTEUR DE NECROSE TUMORALE (TNF) DANS LE TRAITEMENT DES INFLAMMATIONS
  申请人：AVENTIS PHARMA INC

  公开号：WO2004100946A1

  公开（公告）日：2004-11-25

  The present invention provides compounds of Formula (I) Wherein ( ) is an optional ethylene bridge; R1 is alkyl, cycloalkyl, aryl or aryl substituted with one or more substituents selected from alkyl, alkoxy and amino, or R1 is pyridyl or pyridyl substituted with one or more substituents selected from alkyl, alkoxy and amino; R2 is optionally substituted alkyl, alkoxyalkyl, optionally substituted cycloalkylalkyl, arylalkyl, or R2 is arylalkyl substituted with one or more substituents selected from alkyl, alkoxy; X is -C(O)-, -C(O)-CH2-, -S(O)2-, or NH-C(O)- ; and A is optionally substituted alkyl or other substituents as defined in claim 1. Pharmaceutical compositions comprising such compounds, their preparation, and their pharmaceutical use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and/or tumor necrosis factor (TNF), such as asthma or joint inflammation.

  本发明提供了Formula (I)的化合物，其中( )是可选的乙烯桥；R1是烷基、环烷基、芳基或芳基，其上取代基可为烷基、烷氧基和氨基中的一种或多种，或者R1是吡啶基或吡啶基，其上取代基可为烷基、烷氧基和氨基中的一种或多种；R2是可选取代的烷基、烷氧基烷基、可选取代的环烷基烷基、芳基烷基，或者R2是芳基烷基，其上取代基可为烷基、烷氧基中的一种或多种；X是-C(O)-、-C(O)-CH2-、-S(O)2-或NH-C(O)-；A是可选取代的烷基或其他在权利要求1中定义的取代基。包括这些化合物的药物组合物、其制备以及在治疗能够通过抑制p38激酶和/或肿瘤坏死因子(TNF)调节的疾病状态中的药用，如哮喘或关节炎。
• Synthesis and biological characterization of 3-(imidazol-1-ylmethyl)piperidine sulfonamides as aromatase inhibitors
  作者：Mauro Di Matteo、Alessandra Ammazzalorso、Federico Andreoli、Irene Caffa、Barbara De Filippis、Marialuigia Fantacuzzi、Letizia Giampietro、Cristina Maccallini、Alessio Nencioni、Marco Daniele Parenti、Debora Soncini、Alberto Del Rio、Rosa Amoroso

  DOI：10.1016/j.bmcl.2016.04.078

  日期：2016.7

  receptor positive breast cancer in post-menopausal women are aromatase inhibitors. In order to develop new aromatase inhibitors, we designed and synthesized new imidazolylmethylpiperidine sulfonamides using the structure of the previously identified aromatase inhibitor SYN 20028567 as starting lead. By this approach, three new aromatase inhibitors with IC50 values that are similar to that of letrozole and

  绝经后妇女最常使用的激素受体阳性乳腺癌治疗方法是芳香化酶抑制剂。为了开发新的芳香酶抑制剂，我们使用先前鉴定的芳香酶抑制剂SYN 20028567的结构作为起始铅，设计并合成了新的咪唑基甲基哌啶磺酰胺。通过这种方法，鉴定了三种新的芳香酶抑制剂，其IC50值与来曲唑和SYN 20028567相似。
• Selective NPY (Y5) antagonists (triazines)
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US06340683B1

  公开（公告）日：2002-01-22

  This invention is directed to triazine derivatives which are selective antagonists for a NPY (Y5) receptor. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  这项发明涉及选择性拮抗剂，用于NPY（Y5）受体的三嗪衍生物。该发明提供了一种包含本发明化合物的治疗有效量和药用可接受载体的药物组合物。该发明提供了一种由本发明化合物的治疗有效量和药用可接受载体组合而成的药物组合物。此外，该发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量与药用可接受载体组合。
• Identification and Optimization of Anthranilic Sulfonamides as Novel, Selective Cholecystokinin-2 Receptor Antagonists
  作者：Brett D. Allison、Victor K. Phuong、Laura C. McAtee、Mark Rosen、Magda Morton、Clodagh Prendergast、Terry Barrett、Guy Lagaud、Jamie Freedman、Lina Li、Xiaodong Wu、Hariharan Venkatesan、Marna Pippel、Craig Woods、Michèle C. Rizzolio、Michael Hack、Kenway Hoey、Xiaohu Deng、Christopher King、Nigel P. Shankley、Michael H. Rabinowitz

  DOI：10.1021/jm060590x

  日期：2006.10.1

  A high throughput screening approach to the identification of selective cholecystokinin-2 receptor (CCK-2R) ligands resulted in the discovery of a novel series of antagonists, represented by 1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoyl]-piperidine (1; CCK-2R, pK(I) = 6.4). Preliminary exploration of the structure-activity relationships around the anthranilic ring and the amide and

  一种高通量筛选方法，用于鉴定选择性胆囊收缩素2受体（CCK-2R）配体，从而发现了一系列新型的拮抗剂，以1- [2-[（2,1,3-benzothiadiazol-4- （磺酰基）氨基] -5-氯苯甲酰基]-哌啶（1； CCK-2R，pK（I）＝ 6.4）。对邻氨基苯甲酸环以及酰胺和磺酰胺基团周围的结构活性关系的初步探索导致受体亲和力提高了近50倍，并且相对于相关的胆囊收缩素1受体显示出超过1000倍的选择性。药代动力学评估导致鉴定了4- [4-碘-2-[（5-喹喔啉基磺酰基）氨基]苯甲酰基]-吗啉，26d，
• Indole Compounds, Method of Preparing Them and Uses Thereof
  申请人：BINET Jean

  公开号：US20080153816A1

  公开（公告）日：2008-06-26

  Indole compounds corresponding to the formula (I): as defined in the claims, pharmaceutically acceptable addition salts of such compounds, pharmaceutical compositions containing such compounds, the process for their preparation, and their use as pharmacologically active substances, especially in the treatment of hypertriglyceridemia, hyperlipidemia, hypercholesterolemia, diabetes, endothelial dysfunction, cardiovascular disease, inflammatory disease and neurodegeneration.

  与公式（I）相对应的吲哚化合物，如权利要求中所定义的，这些化合物的药学上可接受的加盐物，含有这些化合物的药物组合物，其制备方法，以及它们作为药理活性物质的用途，特别是在治疗高三酰甘油血症、高脂血症、高胆固醇血症、糖尿病、内皮功能障碍、心血管疾病、炎症性疾病和神经退行性疾病方面。