3-氯-2-氰基-4,4,4-三氟丁-2-烯酸酯乙酯 | 77429-04-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-氯-2-氰基-4,4,4-三氟丁-2-烯酸酯乙酯
• 英文名称: ethyl 3-chloro-2-cyano-4,4,4-trifluoro-2-butenoate
• 英文别名: Ethyl 3-chloro-2-cyano-4,4,4-trifluorobut-2-enoate；ethyl (Z)-3-chloro-2-cyano-4,4,4-trifluorobut-2-enoate
• CAS: 77429-04-0
• 化学式: C₇H₅ClF₃NO₂
• 分子量: 227.57
• InChiKey: QPMJENKZJUFOON-PLNGDYQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

反应信息

• 作为反应物：
  描述：

  3-氯-2-氰基-4,4,4-三氟丁-2-烯酸酯乙酯 、 甲基肼 在 三乙胺 作用下， 以 乙醇 为溶剂， 以42% and 5%的产率得到5-氨基-1-甲基-3-(三氟甲基)-1H-吡唑-4-羧酸乙酯
  参考文献：
  名称：

  5-aminopyrazole-4-carboxylate derivative and process for preparing the same

  摘要：

  通过反应式（C）的反应，将式（2）所代表的化合物与式（3）或其水合物、盐（如盐酸盐、溴化物盐或硫酸盐）所代表的肼化合物反应，制备出式（1）所代表的5-氨基吡唑-4-羧酸衍生物。其中，R1为直链或支链的C1到C4烷基，可被卤素原子取代；R2为氢原子、直链或支链的C1到C4烷基或未取代或取代的苯基；R3为直链或支链的C1到C4烷基；M为碱金属。本发明制备过程得到的5-氨基吡唑-4-羧酸衍生物可用作农药和药物的中间体，特别是杀菌剂。

  公开号：

  US06235911B1

文献信息

• [EN] N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] N-(4-(AZAINDAZOL-6-YL)PHÉNYL)SULFONAMIDES ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2014140065A1

  公开（公告）日：2014-09-18

  N-(4-(Azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals The present invention relates to N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides of the formula I, wherein Ar, n, X, Z, R1, R2 and R3 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的N-(4-(吡唑吲唑-6-基)-苯基)-磺酰胺，其中Ar、n、X、Z、R1、R2和R3具有索引中指示的含义。公式I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同工酶1（SGK-1，SGK1）的活性，并适用于治疗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。本发明还涉及公式I的化合物的制备方法，它们作为药物的用途，以及包含它们的药物组合物。
• [EN] SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES BICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE NADPH OXYDASE
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2018203298A1

  公开（公告）日：2018-11-08

  The present application relates to substituted fused heteroaryl and heterocyclic compounds, useful as nicotinamide adenine dinucleotide phosphate oxidase inhibitors (NADPH oxidase inhibitors), processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment or prevention of various diseases, conditions and/or disorders mediated by NADPH oxidase. (Formula I)

  本申请涉及取代的融合杂环芳基和杂环化合物，用作烟酰胺腺嘌呤二核苷酸磷酸酶抑制剂（NADPH氧化酶抑制剂），其制备方法，包含这些化合物的药物组合物，以及这些化合物或组合物在治疗或预防由NADPH氧化酶介导的各种疾病、症状和/或障碍中的用途。 (分子式I)
• N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS
  申请人：SANOFI

  公开号：US20160024097A1

  公开（公告）日：2016-01-28

  The present invention relates to N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides of the formula I, wherein Ar, n, X, Z, R1, R2 and R3 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.

  本发明涉及式I中的N-(4-(氮杂吲唑-6-基)-苯基)-磺酰胺，其中Ar、n、X、Z、R1、R2和R3在权利要求中指定了它们的含义。式I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。此外，本发明还涉及制备式I化合物的方法，它们作为药物的用途以及包含它们的制剂。
• 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1067121A2

  公开（公告）日：2001-01-10

  A 5-aminopyrazole-4-carboxylate derivative represented by the formula (1) is prepared by reacting a compound represented by the formula (2) with a hydrazine compound represented by the formula (3) or hydrate, hydrochloride, hydrobromide or sulfate of the same according to the reaction formula (C): wherein R1 is a straight or branched C1 to C4 alkyl group which can be substituted with a halogen atom, R2 is a hydrogen atom, straight or branched C1 to C4 alkyl group or an unsubstituted or substituted phenyl group, and R3 is a straight or branched C1 to C4 alkyl group, and M is an alkali metal. The 5-aminopyrazole-4-carboxylate derivative obtained by the preparation process of the invention is useful for an intermediate of agricultural chemicals and medicines, fungicides in particular.

  式(1)代表的5-氨基吡唑-4-羧酸盐衍生物是由式(2)代表的化合物与式(3)代表的肼化合物或其水合物、盐酸盐、氢溴酸盐或硫酸盐按反应式(C)反应制备的： 其中 R1 是可被卤原子取代的直链或支链 C1 至 C4 烷基，R2 是氢原子、直链或支链 C1 至 C4 烷基或未取代或取代的苯基，R3 是直链或支链 C1 至 C4 烷基，M 是碱金属。 通过本发明的制备工艺得到的 5-氨基吡唑-4-羧酸酯衍生物可用作农用化学品和药物，特别是杀菌剂的中间体。
• SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：EP3619209A1

  公开（公告）日：2020-03-11