2-苯基-4,5,6,7-四氢噻唑并[5,4-c]吡啶 | 374824-28-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-苯基-4,5,6,7-四氢噻唑并[5,4-c]吡啶
• 中文别名: 2-苯基-4,5,6,7-四氢噻唑并[5,4-C]吡啶
• 英文名称: 2-phenyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
• 英文别名: 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
• CAS: 374824-28-9
• 化学式: C₁₂H₁₂N₂S
• mdl: MFCD09702700
• 分子量: 216.307
• InChiKey: ZWIKGWINLWHWRV-UHFFFAOYSA-N

物化性质

• 沸点：
  394.9±34.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-苯基-4,5,6,7-四氢噻唑并[5,4-c]吡啶 在 potassium carbonate 、 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2-[(2S,6R)-2,6-dimethyl-4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl)ethanone
  参考文献：
  名称：

  NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS

  摘要：

  该公开涉及到式(I)的(杂环融合哌啶)-(哌嗪基)-1-烷酮衍生物和(杂环融合吡咯啉)-(哌嗪基)-1-烷酮衍生物： 其中A、W、R2和n如公开所定义，以及其制备方法和治疗用途。

  公开号：

  US20120245149A1
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 溴 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-苯基-4,5,6,7-四氢噻唑并[5,4-c]吡啶
  参考文献：
  名称：

  NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS

  摘要：

  该公开涉及到式(I)的(杂环融合哌啶)-(哌嗪基)-1-烷酮衍生物和(杂环融合吡咯啉)-(哌嗪基)-1-烷酮衍生物： 其中A、W、R2和n如公开所定义，以及其制备方法和治疗用途。

  公开号：

  US20120245149A1

文献信息

• Hydroxamic and carboxylic acid derivatives
  申请人：——

  公开号：US20020022635A1

  公开（公告）日：2002-02-21

  A phacologically actve compound of forula (1) 1 wherein R 1 is OH or NHOH R 2 is H, alkyl, alkenyl, aryl, arylakyl, heteroaryl, heteroarylalkyl, cycloalkyl, cycloakylalkyl, heterocyclo, or heterocycloalkyl (any of which may be optionally substituted with one or more substituents selected from R 6 , W and WR 6 ); and R 3 is H or alkyl; or R 2 , R 3 and the carbon atom to which they are attached together represent a carbocyclic or heterocyclic ring (either of which may be substituted with one or more substituents selected fom R 6 , W and WR 6 ); R 4 is alkyl, cycloalkyl, OR 9 , CO 2 R 14 , COR 10 , S(O) q R 10 where q is 0.1 or 2, CONR 7 R 8 , CN or S(O) q NR 7 R 4 ; substituents may be attached to th same carbon atom to from C(R 4 ) 2 , where each R 4 may be the same or dfferent, and C(R 4 ) 2 may represent C═O; R 5 is aklyl, cycloalkyl, aryl, heteroaryl, hetrocyclo, CF 3 , OR 9 , COR 10 , S(O) 9 R 10 , CO 2 R 14 , CONR 7 R 8 , S(O)NR 7 R 8 . halogen, NR 10 R 11 or CN, or two adjacent R 5 substituents may be combined to form a heterocyclic ring, R 6 is OR 9 , COR 10 , CO 2 R 15 , CONR 7 R 8 , NR 10 R 11 , S(O) 9 R 10 , S(O) 9 NR 7 R 8 , ═O, ═NOR 10 , succinimido or the group 2 R 7 and R 8 , which may be the same or different, are each H, alkyl, cycloalkyl, aryl, heteroaryl, heterocyclo, arylalkyl, heterarylalkyl, heterocycloalkyl, or cycloalkylalkyl, or R 7 and R 8 and the nitrogento which they are attached together represent a heterocyclic ring; R 9 is alkyl, CF 3 , CHF 2 , CH 2 F, cycloalkyl, aryl, heterocyclo, arylalkyl, heterarylalkyl, heterocycloalkyl or cycloalkylalkyl, R 10 is H, alkyl, cycloalkyl, aryl, heteraryl, heterocyclo, arylalkyl, heterarylalkyl, heterocycloalkyl or cycloalkylalkyl; and R 11 is H, alkyl, cycloalkyl, aryl, heteroaryl, heterocyclo, arylalkyl, heterarylalkyl, heterocycloalkyl, cycloalkylalkyl, COR 12 , CONR 7 R 8 , S(O) q R 12 or S(O) q NR 7 R 8 ; or R 10 and R 11 and the nitrogen to which they are attatched together represent a heterocyclic ring; R 12 is OR 9 or R 13 ; R 13 is alkyl, cycloalkyl, aryl, heteroaryl, heterocyclo, arylalkyl, heterarylalkyl, heterocycloalkyl or cycloalkylalkyl; R 14 is H, alkyl, or cycloalkyl; R 15 is H, alkyl, cycloalkyl, arylalkyl or heteroarylalkyl; R 16 is H or alkyl, A is aryl or heteroaryl, provided that when A is phenyl, R 3 is H, W is alkyl, cycloalkyl, cycloalkylalkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocyclo or haterocycloalkyl, each k and m is independently 0, 1, 2 or 3; n is 0 or 1; and p is 0, 1 or 2; or a salt, solvate, hydrate, N-oxide, protected amino, protected carboxy or protected hydroxamic acid derivative thereof

  一种具有公式（1）的药理活性化合物，其中R1为OH或NHOHR2为H，烷基，烯基，芳基，芳基烷基，杂芳基，杂芳基烷基，环烷基，环烷基烷基，杂环烷基或杂环烷基烷基（其中任何一个都可以选择性地用R6，W和WR6中的一个或多个取代基进行取代）；而R3为H或烷基；或R2，R3和它们所连接的碳原子一起表示一个碳环或杂环（任何一个都可以选择性地用R6，W和WR6中的一个或多个取代基进行取代）；R4为烷基，环烷基，OR9，CO2R14，COR10，S（O）qR10，其中q为0.1或2，CONR7R8，CN或S（O）qNR7R4；取代基可以连接到同一个碳原子以形成C（R4）2，其中每个R4可以相同或不同，而C（R4）2可以表示C═O；R5为烷基，环烷基，芳基，杂芳基，杂环烷基，CF3，OR9，COR10，S（O）9R10，CO2R14，CONR7R8，S（O）NR7R8，卤素，NR10R11或CN，或者两个相邻的R5取代基可以结合成一个杂环状环；R6为OR9，COR10，CO2R15，CONR7R8，NR10R11，S（O）9R10，S（O）9NR7R8，═O，═NOR10，琥珀酰亚胺或2R7和R8的基团，其中R7和R8可以相同或不同，它们都是H，烷基，环烷基，芳基，杂芳基，芳基烷基，杂芳基烷基，杂环烷基或环烷基烷基，或者R7和R8以及它们所连接的氮一起表示一个杂环状环；R9为烷基， ，CHF2，CH2F，环烷基，芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基或环烷基烷基；R10为H，烷基，环烷基，芳基，杂芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基或环烷基烷基；而R11为H，烷基，环烷基，芳基，杂芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基，环烷基烷基，COR12，CONR7R8，S（O）qR12或S（O）qNR7R8；或R10和R11以及它们所连接的氮一起表示一个杂环状环；R12为OR9或R13；R13为烷基，环烷基，芳基，杂芳基，杂环烷基，芳基烷基，杂芳基烷基，杂环烷基或环烷基烷基；R14为H，烷基或环烷基；R15为H，烷基，环烷基，芳基烷基或杂芳基烷基；R16为H或烷基；A为芳基或杂芳基，但是当A为苯基时，R3为H，W为烷基，环烷基，环烷基烷基，芳基，芳基烷基，杂芳基，杂芳基烷基，杂环烷基或杂环烷基烷基，每个k和m独立地为0、1、2或3；n为0或1；而p为0、1或2；或其盐、溶剂化合物、水合物、N-氧化物、保护氨基、保护羧基或保护羟胺酸衍生物。
• AMIDE COMPOUNDS
  申请人：Kitamura Shuji

  公开号：US20120065196A1

  公开（公告）日：2012-03-15

  The present invention provides compounds represented by the formula (Ie): and the formula (If): wherein each symbol is as defined in the specification. According to the present invention, these compounds have a DGAT inhibitory activity and are useful for the prophylaxis, treatment or improvement of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明提供由式(Ie)和式(If)所表示的化合物，其中每个符号如规范中所定义。根据本发明，这些化合物具有DGAT抑制活性，并可用于预防、治疗或改善由DGAT高表达或高活化引起的疾病或病理学。
• (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors
  申请人：Baroni Marco

  公开号：US08580790B2

  公开（公告）日：2013-11-12

  The disclosure relates to (heterocycle-fused piperidine)-(piperazinyl)-1-alkanone derivatives and (heterocycle-fused pyrrolidine)-(piperazinyl)-1-alkanone derivatives of formula (I): wherein A, W, R2 and n are as defined in the disclosure, to the method of preparation thereof and the therapeutic use thereof.

  本公开涉及以下式(I)的（杂环融合哌啶）-（哌嗪基）-1-脂肪酮衍生物和（杂环融合吡咯烷）-（哌嗪基）-1-脂肪酮衍生物，其中A，W，R2和n如本公开所定义，以及其制备方法和治疗用途。
• Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors
  申请人：Ting Pauline C.

  公开号：US20090170861A1

  公开（公告）日：2009-07-02

  In its many embodiments, the present invention provides -substituted pyridazinone compounds as glucan synthase inhibitors, methods of preparing such compounds, pharmaceutical including one or more of such compounds, methods of preparing pharmaceutical formulations including one or more such compounds or one or more such compounds along with other antifungal agents, and methods of treatment, prevention, inhibition, or amelioration of one or more fungal infections associated with glucan synthase using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了取代的吡啶嗪酮化合物作为葡聚糖合成酶抑制剂，制备这种化合物的方法，包括一种或多种这种化合物的制药物，制备包括一种或多种这种化合物或一种或多种这种化合物与其他抗真菌药物共同使用的制药配方的方法，以及使用这种化合物或制药组合物治疗、预防、抑制或改善与葡聚糖合成酶相关的一种或多种真菌感染的方法。
• Pyridazinone derivatives useful as glucan synthase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2586778A2

  公开（公告）日：2013-05-01

  In its many embodiments, the present invention provides -substituted pyridazinone compounds as glucan synthase inhibitors, methods of preparing such compounds, pharmaceutical including one or more of such compounds, methods of preparing pharmaceutical formulations including one or more such compounds or one or more such compounds along with other antifungal agents, and methods of treatment, prevention, inhibition, or amelioration of one or more fungal infections associated with glucan synthase using such compounds or pharmaceutical compositions.

  在其许多实施方案中，本发明提供了作为葡聚糖合成酶抑制剂的-取代哒嗪酮化合物、制备此类化合物的方法、包括一种或多种此类化合物的药物、制备包括一种或多种此类化合物或一种或多种此类化合物与其他抗真菌剂的药物制剂的方法，以及使用此类化合物或药物组合物治疗、预防、抑制或改善与葡聚糖合成酶相关的一种或多种真菌感染的方法。