tert-butyl 2-(4-bromo-1-pyrazolyl)acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-(4-bromo-1-pyrazolyl)acetate
• 英文别名: tert-Butyl 2-(4-bromo-1H-pyrazol-1-yl)acetate；tert-butyl 2-(4-bromopyrazol-1-yl)acetate
• 化学式: C₉H₁₃BrN₂O₂
• 分子量: 261.118
• InChiKey: YXXOBOFWHNUWGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(4-bromo-1-pyrazolyl)acetate 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙酸乙酯 为溶剂， 反应 9.0h， 生成 tert-butyl 2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-pyrazolyl]acetate
  参考文献：
  名称：

  EP3666766

  摘要：

  公开号：
• 作为产物：
  描述：

  4-溴吡唑 、 溴乙酸叔丁酯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70 %的产率得到tert-butyl 2-(4-bromo-1-pyrazolyl)acetate
  参考文献：
  名称：

  HER2降解剂及其用途

  摘要：

  本发明公开一种式(I)所示的化合物，其立体异构体或药学上可接受的盐，或含它们的药物组合物，及其作为HER2抑制剂在制备治疗相关疾病的药物中的用途，式(I)所示中各基团如说明书之定义。PTM——L——ULM (I)。

  公开号：

  CN116199685A
• 作为试剂：
  描述：

  4-溴吡唑 、 溴乙酸叔丁酯 在 tert-butyl 2-(4-bromo-1-pyrazolyl)acetate 作用下， 以to afford the title compound as a yellow solid in 34% yield, 48.0 g的产率得到tert-butyl 2-(4-bromo-1-pyrazolyl)acetate
  参考文献：
  名称：

  Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors

  摘要：

  本发明涉及式(I)化合物及其药学上可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。

  公开号：

  US08846698B2

文献信息

• PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS
  申请人：Andrews Mark David

  公开号：US20120258950A1

  公开（公告）日：2012-10-11

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药学上可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20150038483A1

  公开（公告）日：2015-02-05

  The present invention is related to a compound represented by formula (I) wherein R 1 is a hydrogen atom, substituted or unsubstituted alkyl, substituted or unsubstituted aromatic carbocyclyl, or the like; X is —N(R 3 )—, —O—, or —S—; Y is ═C(R 4 )—, or ═N—; Z is —N(R 7 )—, —O—, or —S—; R 2 is substituted or unsubstituted alkyloxy, or the like, or a group represented by the following formula: —(CR 2a R 2b ) n —R 2c , wherein R 2a is each independently a hydrogen atom, halogen, or the like; R 2b is each independently a hydrogen atom, halogen, or the like; R 2a and R 2b which are attached to the same carbon atom may be taken together to form oxo, a substituted or unsubstituted non-aromatic carbocycle, or the like; two of R 2a which are attached to the adjacent carbon atoms and/or two of R 2b which are attached to the adjacent carbon atoms may be taken together to form a bond; R 2c is substituted or unsubstituted aromatic carbocyclyl, or the like; n is an integer from 1 to 3; R 3 and R 7 are each independently a hydrogen atom, substituted or unsubstituted alkyl, or the like; R 4 and R 5 are each independently a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like; R 6 is a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物，其中R1是氢原子，取代或未取代的烷基，取代或未取代的芳香环烷基等；X是—N(R3)—，—O—或—S—；Y是═C(R4)—或═N—；Z是—N(R7)—，—O—或—S—；R2是取代或未取代的烷氧基等，或以下式表示的基团：—(CR2aR2b)n—R2c，其中R2a分别是氢原子，卤素等；R2b分别是氢原子，卤素等；附在同一碳原子上的R2a和R2b可以共同形成氧化物，取代或未取代的非芳香环烷基等；附在相邻碳原子上的两个R2a和/或附在相邻碳原子上的两个R2b可以共同形成键；R2c是取代或未取代的芳香环烷基等；n是1到3的整数；R3和R7分别是氢原子，取代或未取代的烷基等；R4和R5分别是氢原子，卤素，取代或未取代的烷基等；R6是氢原子，卤素，取代或未取代的烷基等，或其药学上可接受的盐，或包含其的药物组合物。
• AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2832731A1

  公开（公告）日：2015-02-04

  The present invention is related to a compound represented by formula (I) wherein R1 is a hydrogen atom, substituted or unsubstituted alkyl, substituted or unsubstituted aromatic carbocyclyl, or the like; X is -N(R3)-, -O-, or -S-; Y is =C(R4)-, or =N-; Z is -N(R7)-, -O-, or -S-; R2 is substituted or unsubstituted alkyloxy, or the like, or a group represented by the following formula: -(CR2aR2b)n-R2c, wherein R2a is each independently a hydrogen atom, halogen, or the like; R2b is each independently a hydrogen atom, halogen, or the like; R2a and R2b which are attached to the same carbon atom may be taken together to form oxo, a substituted or unsubstituted non-aromatic carbocycle, or the like; two of R2a which are attached to the adjacent carbon atoms and/or two of R2b which are attached to the adjacent carbon atoms may be taken together to form a bond; R2c is substituted or unsubstituted aromatic carbocyclyl, or the like; n is an integer from 1 to 3; R3 and R7 are each independently a hydrogen atom, substituted or unsubstituted alkyl, or the like; R4 and R5 are each independently a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like; R6 is a hydrogen atom, halogen, substituted or unsubstituted alkyl, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物 其中 R1 是氢原子、取代或未取代的烷基、取代或未取代的芳香族羰基或类似物；X 是-N(R3)-、-O-或-S-；Y 是＝C(R4)-、或＝N-；Z 是-N(R7)-、-O-或-S-； R2 是取代或未取代的烷氧基，或类似物，或下式所代表的基团：-(CR2aR2b)n-R2c，其中 R2a 各自独立地为氢原子、卤素或类似物；R2b 各自独立地为氢原子、卤素或类似物；连接到相同碳原子上的 R2a 和 R2b 可一起形成氧代、取代或未取代的非芳香族碳环或类似物；与相邻碳原子相连的两个 R2a 和/或与相邻碳原子相连的两个 R2b 可结合在一起形成键； R2c 是取代或未取代的芳香族碳环或类似物； n 是 1 到 3 的整数； R3 和 R7 各自独立地为氢原子、取代或未取代的烷基或类似物； R4 和 R5 各自独立地为氢原子、卤素、取代或未取代的烷基或类似物； R6 是氢原子、卤素、取代或未取代的烷基或类似物、 或其药学上可接受的盐，或由其组成的药物组合物。
• PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP3666766A1

  公开（公告）日：2020-06-17

  The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

  本发明提供了一种由下式[I]代表的化合物或其药学上可接受的盐，对 20-HETE 生成酶具有抑制作用。 (上式[I]中，下式[II]所代表的结构： 代表下式组[III]所代表的任何一种结构： R1、R2、R3 和 R4 独立地代表氢原子、氟原子、甲基或类似物、 R5 代表式组 [IV] 所代表的任何一种结构：
• Pyridine compound substituted with azole
  申请人：TAISHO PHARMACEUTICAL CO., LTD.

  公开号：US11365192B2

  公开（公告）日：2022-06-21

  The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

  本发明提供了一种由下式[I]代表的化合物或其药学上可接受的盐，对 20-HETE 生成酶具有抑制作用。 (上式[I]中，下式[II]所代表的结构： 代表下文式组 [III] 所代表的任何一种结构： R1、R2、R3 和 R4 独立地代表氢原子、氟原子、甲基或类似物，R5 代表式组 [IV] 所代表的任何结构：