5-氯-1,3-二甲基-1H-吡唑-4-磺酸 | 499785-48-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 5-氯-1,3-二甲基-1H-吡唑-4-磺酸
• 英文名称: 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid
• 英文别名: 5-chloro-1,3-dimethylpyrazole-4-sulfonic acid
• CAS: 499785-48-7
• 化学式: C₅H₇ClN₂O₃S
• 分子量: 210.641
• InChiKey: XSGVEJDBLQQXST-UHFFFAOYSA-N

物化性质

• 熔点：
  308 °C
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933199090

反应信息

• 作为产物：
  描述：

  5-氯-1,3-二甲基-1H-吡唑 在 硫酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 以83%的产率得到5-氯-1,3-二甲基-1H-吡唑-4-磺酸
  参考文献：
  名称：

  不对称取代的5-氯吡唑的磺化

  摘要：

  近年来，卤代吡唑类化合物受到了广泛关注，它是合成线性、多环和其他吡唑衍生物的基础化合物 [1, 2]。各种烷基（芳基）肼和不对称二烷基肼与 2,2-二卤代乙烯基酮反应生成不对称 1,3-二取代 5-卤代吡唑，其卤素原子对亲核取代的反应性较低 [1-10]。将吸电子基团（如甲酰基、酰基、硝基等）引入 5-卤代吡唑的 4 位，可以在 5-卤原子的参与下完成反应 [1, 2, 11, 12 ]。5-氯-4-硝基吡唑与碳中心亲核试剂，特别是乙酰乙酸、芳基磺酰乙酸和氰基乙酸酯的反应，

  DOI：

  10.1134/s1070428016060270

文献信息

• [EN] SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS<br/>[FR] DERIVES DE XANTHINE SUBSTITUES PAR DES SULFONAMIDES ET UTILES COMME INHIBITEURS DE PEPCK
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004074288A1

  公开（公告）日：2004-09-02

  The present invention is concerned with sulfonamide substituted xanthine derivatives of formula (I) or a pharmaceutically acceptable salts or prodrugs thereof, wherein R1, R2 and R3 are as defined in the specification. Compounds of formula (I) and pharmaceutically acceptable salts or prodrugs thereof show activity as modulators of gluconeogenesis.

  本发明涉及式(I)的磺酰胺取代的黄嘌呤衍生物或其药用可接受的盐或前药，其中R1、R2和R3如说明书中所定义。式(I)的化合物及其药用可接受的盐或前药作为糖异生调节剂显示出活性。
• [EN] 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS<br/>[FR] 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES UTILISES COMME INHIBITEURS DE P13 KINASE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2005011686A1

  公开（公告）日：2005-02-10

  The present invention is related to 2-imino-azolinone-vinyl fused-benzene derivatives of Formula (1) in particular for the treatment and/or prophylaxis of autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries.

  本发明涉及Formula (1)中的2-亚胺-氮杂氧杂氮烯-乙烯融合苯衍生物，特别用于治疗和/或预防自身免疫疾病和/或炎症性疾病、心血管疾病、神经退行性疾病、肾脏疾病、血小板聚集、癌症、移植、移植排斥或肺损伤。
• Compounds with medicinal effects due to interaction with the glucocorticoid receptor
  申请人：Hamilton Morton Niall

  公开号：US20070149577A1

  公开（公告）日：2007-06-28

  The invention provides for compounds having the structure according to the formula I wherein: X is a carbon or nitrogen atom; Ar is phenyl or heteroaromatic ring; R 1 is hydrogen, halogen, CN or (1C-4C)alkyl; R 2 is hydrogen, halogen or optionally fluorinated (1C-3C)alkoxy; R 3 and R 5 are independently hydrogen, optionally halogenated (1C-4C)alkyl, optionally halogenated (1C-4C)alkoxy, optionally halogenated aryl(1C-4C)alkoxy, optionally halogenated (1C-4C)alkenyl or hydroxylmethyl; R 4 is hydrogen, halogen, optionally halogenated (1C-4C)alkoxy or optionally halogenated aryl(1C-4C)alkoxy; R 6 is hydrogen, benzyl, optionally substituted with one or more halogens or (1C-4C)alkyl, or R 6 is optionally halogenated (1C-4C)alkyl; each R 7 independently is hydrogen, halogen, optionally halogenated (1C-4C)alkyl or optionally halogenated (1C-4C)alkoxy and pharmaceutically suitable acid addition salts thereof for use as glucocorticoid receptor modulators, in particular for treatment of central nervous system disorders.

  该发明提供了具有以下结构的化合物，符合以下式I的结构：其中：X是碳或氮原子；Ar是苯基或杂环芳香环；R1是氢、卤素、CN或(1C-4C)烷基；R2是氢、卤素或可选氟化的(1C-3C)烷氧基；R3和R5分别是氢、可选卤代的(1C-4C)烷基、可选卤代的(1C-4C)烷氧基、可选卤代的芳基(1C-4C)烷氧基、可选卤代的(1C-4C)烯基或羟甲基；R4是氢、卤素、可选卤代的(1C-4C)烷氧基或可选卤代的芳基(1C-4C)烷氧基；R6是氢、苄基，可选用一个或多个卤素或(1C-4C)烷基取代，或R6是可选卤代的(1C-4C)烷基；每个R7独立地是氢、卤素、可选卤代的(1C-4C)烷基或可选卤代的(1C-4C)烷氧基，以及其药用合适的酸盐，用作糖皮质激素受体调节剂，特别用于治疗中枢神经系统疾病。
• Quaternary ammonium salts of substituted pyrazoline compounds, their preparation and use as medicaments
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1749821A1

  公开（公告）日：2007-02-07

  The present invention relates to quaternary ammonium salts of substituted pyrazoline compounds of formula I, methods for their preparation, medicaments comprising theses compounds as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及公式I的取代吡唑烯化合物的季铵盐，其制备方法，包含这些化合物的药物以及它们用于制备用于治疗人类和动物的药物的用途。
• [EN] N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHÉNYL]-SULFONAMIDES ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013041502A1

  公开（公告）日：2013-03-28

  The present invention relates to N-[4-(1H-pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides of the formula (I), (R2)n wherein Ar, R1, R2 and n have the meanings indicated in the claims. The compounds of the formula (I) are valuable pharmacologically active compounds which modulate protein kinase activity, specifically the activity of serum and glucocorticoid regulated kinase (SGK), in particular of serum and glucocorticoid regulated kinase isoform 1 (SGK-1, SGK1), and are suitable for the treatment of diseases in which SGK activity is inappropriate, for example degenerative joint disorders or inflammatory processes such as osteoarthritis or rheumatism. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及公式（I）中的N-[4-(1H-吡唑并[3,4-b]吡嗪-6-基)-苯基]-磺酰胺，其中Ar，R1，R2和n在权利要求书中所示的含义。公式（I）中的化合物是有价值的药理活性化合物，可以调节蛋白激酶活性，特别是血清和糖皮质激素调节激酶（SGK）的活性，特别是血清和糖皮质激素调节激酶亚型1（SGK-1，SGK1）的活性，并且适用于治疗SGK活性不当的疾病，例如退行性关节疾病或炎症过程，如骨关节炎或风湿病。本发明还涉及制备公式（I）中化合物的方法，它们作为药物的用途以及包含它们的制剂。