1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron

• 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
• 英文名称: 1-Fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron
• 英文别名: 1-fluoro-4,6-bis(trifluoromethyl)pyridin-1-ium-2-sulfonate;hydron
• 化学式: C7H3F7NO3S+
• 分子量: 314.16
• InChiKey: LWZRPYZXABAHFJ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.6
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Raf inhibitor compounds and methods of use thereof
  申请人：Miknis Greg

  公开号：US20070049603A1

  公开（公告）日：2007-03-01

  Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME
  申请人：Shibata Norio

  公开号：US20110319637A1

  公开（公告）日：2011-12-29

  A 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethyl group introduction agent that is effective as an intermediate in pharmaceutical and agrochemical synthesis, a production method thereof, and a production method of a monofluoromethyl group-containing compound using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative are provided. The 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative represented by the following general formula (1) (wherein R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a straight-chain or branched alkyl group having 1 to 4 carbon atoms, a straight-chain or branched alkyloxy group having 1 to 4 carbon atoms, a halogen atom, a nitro group, or a cyano group), the production method thereof, and various monofluoromethyl group-containing compounds are manufactured using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethylating agent.

  一种2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基基团引入剂，可作为制药和农药合成中间体，提供其生产方法，以及使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物制备含单氟甲基基团的化合物的生产方法。所述2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物由下述通用式（1）表示（其中R1、R2、R3和R4各自独立地表示氢原子、具有1至4个碳原子的直链或支链烷基基团、具有1至4个碳原子的直链或支链烷氧基基团、卤素原子、硝基团或氰基团），提供其生产方法，并使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基化剂制造各种含单氟甲基基团的化合物。
• Vitamin D3 derivative and treating agent for inflammatory respiratory disease using same
  申请人：TEIJIN LIMITED

  公开号：US20020091109A1

  公开（公告）日：2002-07-11

  Compounds expressed by the following general formula (1), 1 [wherein, R 01 and R 02 are each independently a hydrogen atom or a protecting group for a hydroxyl group; Z is one out of the following formulae (1-1), (1-2), (1-3), (1-4) and (1-5)]. 2 The compounds can be used as active ingredients of treating agents for inflammatory respiratory diseases, malignant tumors, rheumatoid arthritis, osteoporosis, diabetes mellitus, hypertension, alopecia, acne, psoriasis, dermatitis, hypercalcemia, hypoparathyroidism and metabolic disorder of cartilage.

  以下为一般式（1）表示的化合物，其中，R01和R02分别独立地表示氢原子或羟基的保护基团；Z为下列式子（1-1）、（1-2）、（1-3）、（1-4）和（1-5）中的一种。这些化合物可以用作治疗炎症性呼吸道疾病、恶性肿瘤、类风湿性关节炎、骨质疏松症、糖尿病、高血压、脱发、痤疮、银屑病、皮炎、高钙血症、甲状旁腺功能减退症和软骨代谢紊乱的治疗剂的活性成分。
• 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS
  申请人：Allen John Gordon

  公开号：US20090099155A1

  公开（公告）日：2009-04-16

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzoazepines of Formula I as selective 5-HT 2C receptor agonists for the treatment of 5-HT 2C associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety: where: R 6 is -C≡C-R 10 , -O-R 12 , -S-R 14 , or -NR 24 R 25 ; and other substituents are as defined in the specification.

  本发明提供了式I的6-取代的2,3,4,5-四氢-1H-苯并氮烯作为选择性5-HT2C受体激动剂，用于治疗5-HT2C相关疾病，包括肥胖症、强迫症、抑郁症和焦虑症：其中：R6为-C≡C-R10，-O-R12，-S-R14或-NR24R25；其他取代基如规范中所定义。
• 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist
  申请人：ALLEN JOHN GORDON

  公开号：US20120028961A1

  公开（公告）日：2012-02-02

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula I as selective 5-HT 2C receptor agonists for the treatment of 5-HT 2C associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety: where: R 6 is —S—R 14 ; and other substituents are as defined in the specification.

  本发明提供了公式I的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环作为选择性5-HT2C受体激动剂，用于治疗5-HT2C相关疾病，包括肥胖症、强迫症、抑郁症和焦虑症：其中：R6为—S—R14；其他取代基如规范中所定义。