(2-氨基-2-硫氧代乙基)甲基氨基甲酸叔丁酯 | 218944-58-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 中文名称: (2-氨基-2-硫氧代乙基)甲基氨基甲酸叔丁酯
• 英文名称: 2-{[(1,1-dimethylethyloxy)carbonyl]methyl}aminoethanethioamide
• 英文别名: tert-butyl (2-amino-2-thioxoethyl)methylcarbamate；tert-butyl 2-amino-2-thioxoethyl(methyl)carbamate；tert-butyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate
• CAS: 218944-58-2
• 化学式: C₈H₁₆N₂O₂S
• mdl: MFCD16829987
• 分子量: 204.293
• InChiKey: KYZYVGBBYFHROZ-UHFFFAOYSA-N

物化性质

• 沸点：
  289.2±33.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴-2'-氟苯乙酮 、 (2-氨基-2-硫氧代乙基)甲基氨基甲酸叔丁酯 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 48.0h， 以70%的产率得到tert-butyl {[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl}methylcarbamate
  参考文献：
  名称：

  5-Membered heterocyclic compound

  摘要：

  本发明提供了以下通式(I)表示的5元杂环化合物： 本化合物具有优异的抑制胃酸分泌效果，并显示出抗溃疡活性等。

  公开号：

  US20090156642A1
• 作为产物：
  描述：

  tert-butyl (2-amino-2-oxoethyl)(methyl)carbamate 生成 (2-氨基-2-硫氧代乙基)甲基氨基甲酸叔丁酯
  参考文献：
  名称：

  Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them

  摘要：

  从以下化合物组中选择的一种化合物，其化学式为 其中A是从以下组中选择的 其他取代基在规范中定义，具有抑制NO合酶产生一氧化氮的活性和/或捕获活性氧化物种的活性。

  公开号：

  US06335445B1

文献信息

• Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.)

  公开号：US06335445B1

  公开（公告）日：2002-01-01

  A compound selected from the group consisting of a compound of the formula wherein A is selected from the group consisting of and the other substituents are defined in the specification having an inhibitory activity of NO-synthase enzymes producing nitrogen mono-oxide and/or an activity which traps the reactive oxygen species.

  从以下化合物组中选择的一种化合物，其化学式为 其中A是从以下组中选择的 其他取代基在规范中定义，具有抑制NO合酶产生一氧化氮的活性和/或捕获活性氧化物种的活性。
• Derivatives of heterocycles with 5 members, their preparation and their use as medicaments
  申请人：——

  公开号：US20040132788A1

  公开（公告）日：2004-07-08

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) 1 wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and &OHgr; is —NR 46 R 47 or —OR 48 R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及噻唑、噁唑、咪唑、异噁唑和异噁唑啉的一般式(I)衍生物，其中Het为噻唑、噁唑、咪唑、异噁唑或异噁唑啉，n为0至6的整数，A特别选自各种可任选取代的芳香族基团，B特别为氢、烷基或苯基，R1和R2特别独立地为氢、烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢、烷基、环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学特性，使其可用于治疗学，特别是用于治疗神经退行性疾病或疼痛。
• 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY
  申请人：CHABRIER de LASSAUNIERE Pierre-Etienne

  公开号：US20080108683A1

  公开（公告）日：2008-05-08

  The invention relates to novel derivatives of 4-phenylthiazoles and 4-phenylimidizoles and the use thereof as medicaments. The invention especially relates to the following compounds: butyl-2-[4-(4-aminophenyl)-1H-imidizol-2-yl]ethyl-carbamate, and 4-[2-(1-aminocyclopentyl)-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol, and the salts of the same.

  本发明涉及4-苯基噻唑和4-苯基咪唑的新衍生物及其作为药物的用途。本发明特别涉及以下化合物：丁基-2-[4-(4-氨基苯基)-1H-咪唑-2-基]乙基-氨基甲酸酯，以及4-[2-(1-氨基环戊基)-1,3-噻唑-4-基]-2,6-二叔丁基苯酚及其盐。
• 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy
  申请人：Chabrier de Lassauniere Pierre-Etienne

  公开号：US20070054900A1

  公开（公告）日：2007-03-08

  The invention relates to novel derivatives of 4-phenylthiazoles and 4-phenylimidazoles and the use thereof medicament. The invention especially relates to the following compounds: butyl-2-[4-(4-(aminophenyl)-1H-imidazol-2-yl]ethyl-carbamate, and 4-[2-(1-aminocyclopentyl)-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol, and the salts of the same.

  该发明涉及4-苯基噻唑和4-苯基咪唑的新衍生物及其药物用途。该发明特别涉及以下化合物：丁基-2-[4-(4-(氨基苯基)-1H-咪唑-2-基)]乙基氨基甲酸酯，以及4-[2-(1-氨基环戊基)-1,3-噻唑-4-基]-2,6-二叔丁基苯酚，以及其盐。
• DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：CHABRIER DE LASSAUNIERE Pierre-Etienne

  公开号：US20110172434A1

  公开（公告）日：2011-07-14

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and Ω is —NR 46 R 47 or —OR 48 , R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及通式（I）的噻唑，噁唑，咪唑，异噁唑和异噁唑啉衍生物，其中Het为噻唑，噁唑，咪唑，异噁唑或异噁唑啉，n为0至6的整数，A特别选择自各种可选取代的芳香基团，B特别为氢，烷基或苯基，R1和R2特别独立地为氢，烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢，烷基，环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学性质，可以在治疗中使用，特别用于治疗神经退行性疾病或疼痛。