6-三氟乙酰氨基-苯并噻唑 | 161557-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 6-三氟乙酰氨基-苯并噻唑
• 英文名称: 6-trifluoroacetamido-benzothiazole
• 英文别名: 6-trifluoroacetamidobenzothiazole；N-(1,3-benzothiazol-6-yl)-2,2,2-trifluoroacetamide
• CAS: 161557-59-1
• 化学式: C₉H₅F₃N₂OS
• 分子量: 246.213
• InChiKey: AIMBIJOIEDNBTA-UHFFFAOYSA-N

物化性质

• 沸点：
  365.7±42.0 °C(Predicted)
• 密度：
  1.581±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-三氟乙酰氨基-苯并噻唑 在 氢氧化钾 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 、 甲苯 为溶剂， 反应 0.67h， 生成 N-methyl-N-(benzothiazol-6-yl)carbamoyl chloride
  参考文献：
  名称：

  Mesolimbic selective antipsychotic arylcarbamates

  摘要：

  4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine has been linked to various arylcarbamates to obtain compounds having affinity for dopamine-D-1 and -D-2, serotonin 5HT(2A) and alpha(1)-adrenoceptors. When Linkers with restricted flexibility are used, the biological activity is reduced indicating that a bended conformation is needed in this series of bioactive molecules. Compounds with a relatively low D-2/5HT(2A) affinity ratio in receptor binding experiments and high affinity for the alpha(1)-adrenoceptors exhibit a pharmacological profile which suggests a preferential effect on the mesocorticolimbic dopaminergic system and an 'atypical' antipsychotic activity. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80009-9
• 作为产物：
  描述：

  6-氨基苯并噻唑 、 三氟乙酸酐 在 三乙胺 作用下， 以 甲苯 为溶剂， 以83.3%的产率得到6-三氟乙酰氨基-苯并噻唑
  参考文献：
  名称：

  Mesolimbic selective antipsychotic arylcarbamates

  摘要：

  4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine has been linked to various arylcarbamates to obtain compounds having affinity for dopamine-D-1 and -D-2, serotonin 5HT(2A) and alpha(1)-adrenoceptors. When Linkers with restricted flexibility are used, the biological activity is reduced indicating that a bended conformation is needed in this series of bioactive molecules. Compounds with a relatively low D-2/5HT(2A) affinity ratio in receptor binding experiments and high affinity for the alpha(1)-adrenoceptors exhibit a pharmacological profile which suggests a preferential effect on the mesocorticolimbic dopaminergic system and an 'atypical' antipsychotic activity. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80009-9

文献信息

• Piperidine derivatives
  申请人：Novo Nordisk A/S

  公开号：US05478845A1

  公开（公告）日：1995-12-26

  Piperidine derivatives of formula ##STR1## wherein A is straight or branched alkyl, alkoxy-alkyl, or alkenyl; X is O or NH; Y is O, S, NH, NCN, or N-alkyl; R.sup.1 is 6-fluoro-1,2-benzisoxazol-3-yl, 6-fluoro-1H-indazol-3-yl, or 6-fluoro-1-methyl-1H-indazol-3-yl; R.sup.2 is alkyl or phenyl; and R.sup.3 is phenyl optionally substituted, or R.sup.3 is ##STR2## wherein Z represents a 5- or 6-membered heterocyclic ring; or R.sup.2 and R.sup.3 together with the nitrogen atom form a fused heterocyclic ring system; or pharmaceutically acceptable salts thereof are useful in the treatment of indications related to the CNS-system, cardiovascular system or to gastrointestinal disorders.

  式子为##STR1##的哌啶衍生物，其中A是直链或支链烷基，烷氧基烷基或烯基；X是O或NH；Y是O、S、NH、NCN或N-烷基；R1是6-氟-1,2-苯并异噁唑-3-基、6-氟-1H-吲唑-3-基或6-氟-1-甲基-1H-吲唑-3-基；R2是烷基或苯基；R3是苯基，可选地被取代，或R3是##STR2##其中Z代表5-或6-成员杂环环；或R2和R3与氮原子一起形成融合的杂环环系；或其药学上可接受的盐在治疗与中枢神经系统、心血管系统或胃肠道疾病相关的适应症方面有用。
• CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP0951466B1

  公开（公告）日：2009-01-21
• PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE
  申请人：NOVO NORDISK A/S

  公开号：EP0700396A1

  公开（公告）日：1996-03-13
• DERIVES DE SILYLMETHYL-ANILINES, LEURS PROCEDES DE FABRICATION ET LEUR UTILISATION COMME MEDICAMENT
  申请人：PIERRE FABRE MEDICAMENT

  公开号：EP0770084A1

  公开（公告）日：1997-05-02
• US5478845A
  申请人：——

  公开号：US5478845A

  公开（公告）日：1995-12-26