{2-[2-(2-fluoro-ethyl)-2H-tetrazol-5-yl]-ethyl}-carbamic acid tert-butyl ester | 847789-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: {2-[2-(2-fluoro-ethyl)-2H-tetrazol-5-yl]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate
• CAS: 847789-40-6
• 化学式: C₁₀H₁₈FN₅O₂
• 分子量: 259.284
• InChiKey: ZDZRHBMIODOOBY-UHFFFAOYSA-N

物化性质

• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {2-[2-(2-fluoro-ethyl)-2H-tetrazol-5-yl]-ethyl}-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-[2-(2-fluoro-ethyl)-2H-tetrazol-5-yl]-ethylamine
  参考文献：
  名称：

  [EN] 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005021519A3
• 作为产物：
  描述：

  1-溴-2-氟乙烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.25h， 生成 {2-[2-(2-fluoro-ethyl)-2H-tetrazol-5-yl]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/134827

  摘要：

  公开号：

文献信息

• 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS
  申请人：Budd Emma

  公开号：US20090234132A1

  公开（公告）日：2009-09-17

  The present invention concerns a compound of formula Ia wherein: R a* is hydrogen or C 1-4 -alkyl; R b* is —(C 1 -C 4 -alkylene)-Y—C 1-4 -haloalkyl or —(C 1 -C 4 -alkylene)-Y—C 1 -C 4 -hydroxyalkyl; Y represents —CONH— or a five membered heteroaryl group. R 2* is C 1 -C 4 -alkyl or halogen; R 3* is halo, —SO 2 —CH 3 , —SO 2 —CF 3 , carboxy, —CO—NH 2 , —CO-di(C 1 -C 8 -alkyl)amino, or a 5- or 6-membered heterocyclic ring having one or more ring hetero atoms selected from the group consisting of oxygen, nitrogen and sulphur, that ring being optionally substituted by halo, cyano, oxo, hydroxy, carboxy, nitro, C 3 -C 8 -cycloalkyl, C 1 -C 8 -alkylcarbonyl, C 1 -C 8 -alkoxy optionally substituted by aminocarbonyl, or C 1 -C 8 -alkyl optionally substituted by hydroxy, C 1 -C 8 -alkoxy, C 1 -C 8 -alkylamino or di(C 1 -C 8 -alkyl)amino; R 4* is hydrogen, halo, —SO 2 —CH 3 , nitrile, C 1 -C 8 -haloalkyl, imidazolyl, C 1 -C 8 -alkyl, —NR 8* R 9* , or —SO 2 —NR 8* R 9* ; and R 5* is hydrogen, halogen or C 1 -C 8 -alkyl; R 8* and R 9* are independently hydrogen, amino, C 1 -C 8 -alkylamino, di(C 1 -C 8 -alkyl)amino, or CC 1 -C 8 -alkyl optionally substituted by hydroxyl; or a pharmaceutically acceptable salt, or solvate thereof, to compositions and use of the compounds in the treatment of diseases ameliorated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及一种式Ia的化合物，其中：Ra*是氢或C1-4-烷基；Rb*是-（C1-C4-烷基）-Y-C1-4-卤代烷基或-（C1-C4-烷基）-Y-C1-C4-羟基烷基；Y代表-CONH-或五元杂环芳基基团。R2*是C1-C4-烷基或卤素；R3*是卤素，-SO2-CH3，-SO2-CF3，羧基，-CO-NH2，-CO-di（C1-C8-烷基）氨基，或具有一个或多个由氧、氮和硫组成的环异原子的5-或6元杂环，该环可以被卤素、氰基、氧代、羟基、羧基、硝基、C3-C8-环烷基、C1-C8-烷基羰基、C1-C8-烷氧基（可选择地被氨基羰基取代）、或C1-C8-烷基（可选择地被羟基、C1-C8-烷氧基、C1-C8-烷基氨基或二（C1-C8-烷基）氨基取代）取代；R4*是氢、卤素、-SO2- 、腈、C1-C8-卤代烷基、咪唑基、C1-C8-烷基、-NR8*R9*，或-SO2-NR8*R9*；R5*是氢、卤素或C1-C8-烷基；R8*和R9*独立地是氢、氨基、C1-C8-烷基氨基、二（C1-C8-烷基）氨基，或C1-C8-烷基（可选择地被羟基取代）；或其药学上可接受的盐或溶剂，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的组合物和用途。
• 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases
  申请人：Bloomfield Graham Charles

  公开号：US20080280871A1

  公开（公告）日：2008-11-13

  in free or salt form, wherein R a , R b , R 2 , R 3 , R 4 and R 5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  在自由或盐形式中，其中Ra，Rb，R2，R3，R4和R5具有规范中指示的含义，对于治疗由磷脂酰肌醇3-激酶介导的疾病是有用的。还描述了含有该化合物的药物组合物以及制备该化合物的过程。
• 5-phenyl-thiazol-2-yl-urea derivatives and use as PI3 kinase inhibitors
  申请人：Novartis AG

  公开号：US07998990B2

  公开（公告）日：2011-08-16

  The present invention concerns a compound of formula Ia wherein: Ra* is hydrogen or C1-C4-alkyl; Rb* is —(C1-C4-alkylene)-Y—C1-C4-haloalkyl or —(C1-C4-alkylene)-Y—C1-C4-hydroxyalkyl; Y represents —CONH— or a five membered heteroaryl group. R2* is C1-C4-alkyl or halogen; R3* is halo, —SO2—CH3, —SO2—CF3, carboxy, —CO—NH2, —CO-di(C1-C8-alkyl)amino, or a 5- or 6-membered heterocyclic ring having one or more ring hetero atoms selected from the group consisting of oxygen, nitrogen and sulphur, that ring being optionally substituted by halo, cyano, oxo, hydroxy, carboxy, nitro, C3-C8-cycloalkyl, C1-C8-alkylcarbonyl, C1-C8-alkoxy optionally substituted by aminocarbonyl, or C1-C8-alkyl optionally substituted by hydroxy, C1-C8-alkoxy, C1-C8-alkylamino or di(C1-C8-alkyl)amino; R4* is hydrogen, halo, —SO2—CH3, nitrile, C1-C8-haloalkyl, imidazolyl, C1-C8-alkyl, —NR8*R9*, or —SO2—NR8*R9*; and R5* is hydrogen, halogen or C1-C8-alkyl; R8* and R9* are independently hydrogen, amino, C1-C8-alkylamino, di(C1-C8-alkyl)amino, or CC1-C8-alkyl optionally substituted by hydroxyl; or a pharmaceutically acceptable salt, or solvate thereof, to compositions and use of the compounds in the treatment of diseases ameliorated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及式Ia的化合物，其中：Ra *为氢或C1-C4-烷基；Rb *为-（C1-C4-烷基）-Y-C1-C4-卤代烷基或-（C1-C4-烷基）-Y-C1-C4-羟基烷基；Y代表-CONH-或五元杂环芳基基团。R2 *为C1-C4-烷基或卤素；R3 *为卤素，-SO2-CH3，-SO2-CF3，羧基，-CO-NH2，-CO-二（C1-C8-烷基）氨基，或具有氧，氮和硫的一种或多种环杂原子的5-或6-成员杂环环，该环可以被卤素，氰基，氧代，羟基，羧基，硝基，C3-C8-环烷基，C1-C8-烷基羰基，C1-C8-烷氧基可选择由氨基羰基取代，或C1-C8-烷基可选择由羟基，C1-C8-烷氧基，C1-C8-烷基氨基或二（C1-C8-烷基）氨基取代; R4 *为氢，卤素，-SO2- ，腈，C1-C8-卤代烷基，咪唑基，C1-C8-烷基，-NR8 * R9 *或-SO2-NR8 * R9 *; R5 *为氢，卤素或C1-C8-烷基；R8 *和R9 *分别为氢，氨基，C1-C8-烷基氨基，二（C1-C8-烷基）氨基，或CC1-C8-烷基可选择由羟基取代；或其药学上可接受的盐或溶剂，以及所述化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的用途。
• 5-phenyl-4-methyl-thiazol-2-yl-amine derivatives as inhibitors of phosphatidylin ositol 3 kinase enzymes (PI13) for treatment of inflammatory diseases
  申请人：Novartis AG

  公开号：US07902375B2

  公开（公告）日：2011-03-08

  in free or salt form, wherein Ra, Rb, R2, R3, R4 and R5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  本发明涉及一种以自由或盐形式存在的化合物，其中Ra、Rb、R2、R3、R4和R5在说明书中所示的含义，该化合物可用于治疗由磷脂酰肌醇3-激酶介导的疾病。还描述了含有该化合物的制药组合物以及制备该化合物的过程。
• 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：Bloomfield Graham Charles

  公开号：US20110124624A1

  公开（公告）日：2011-05-26

  Compounds of Formula I: in free or salt form, wherein R a , R b , R 2 , R 3 , R 4 and R 5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  公式I的化合物：以自由或盐形式存在，其中Ra、Rb、R2、R3、R4和R5的含义如规范中所示，可用于治疗由磷脂酰肌醇3-激酶介导的疾病。还描述了含有这些化合物的制药组合物和制备这些化合物的过程。