1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone
• 化学式: C₁₃H₁₆N₄O
• 分子量: 244.29
• InChiKey: CULRCDBRMPATTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.2
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Pharmaceutical compound
  申请人：IOmet Pharma Ltd.

  公开号：US10590086B2

  公开（公告）日：2020-03-17

  Provided is a tryptophan-2,3-dioxygenase (TDO) and/or indoleamine-2,3-dioxygenase (IDO) inhibitor compound for use in medicine, which compound comprises formula (I) wherein X1, and X2 may be the same or different and each is independently selected from C, N, O and S; X3, X4, X5, and X6 may be the same or different and each is independently selected from C and N; each bond represented by a dotted line may be present or absent, provided that at least one such bond is present; R1, R2, R3, R4, R5 and R6 may be present or absent and may be the same or different and each is independently selected from H and a substituted or unsubstituted organic group, provided that the number of R1, R2, R3, R4, R5 and R6 groups present is such that the respective valencies of X1, X2, X3, X4, X5, and X6 are maintained; and wherein at least one of R5 and R6 comprises a group Y, wherein Y is a group having a formula selected from (II), (III), (IV), (V), (VI), (VII) wherein L may be present or absent, and may be a substituted or unsubstituted organic linking group; R31 and R32 may be the same or different and are selected from H and a substituted or unsubstituted organic group; each R34 may be the same or different and is selected from H and a substituted or unsubstituted organic group; R35 is selected from a substituted or unsubstituted alcohol group or ether group; each R36 may be the same or different and is selected from H and a substituted or unsubstituted organic group; X7 may be selected from C and N; X8, X9, X10, X11, X12, X13, X14, X15 and X16 may be the same or different and each is independently selected from C, N, O and S; each bond represented by a dotted line may be present or absent; and each R313 may be the same or different and is selected from H and a substituted or unsubstituted organic group.

  本发明提供了一种用于医药的色氨酸-2,3-二氧合酶（TDO）和/或吲哚胺-2,3-二氧合酶（IDO）抑制剂化合物，该化合物包括式（I） 其中X1和X2可以相同或不同，并且各自独立地选自C、N、O和S；X3、X4、X5和X6可以相同或不同，并且各自独立地选自C和N；R1、R2、R3、R4、R5 和 R6 可以存在或不存在，可以相同或不同，且各自独立选自 H 和取代或未取代的有机基团，条件是存在的 R1、R2、R3、R4、R5 和 R6 基团的数目使得 X1、X2、X3、X4、X5 和 X6 各自的价保持不变；其中 R5 和 R6 中至少一个包含基团 Y，其中 Y 是具有选自 (II)、(III)、(IV)、(V)、(VI)、(VII) 式的基团，其中 L 可以存在或不存在，并且可以是取代或未取代的有机连接基团；R31 和 R32 可以相同或不同，并且选自 H 和取代或未取代的有机基团；每个 R34 可以相同或不同，并且选自 H 和取代或未取代的有机基团；R35 选自取代或未取代的醇基或醚基；每个 R36 可以相同或不同，并且选自 H 和取代或未取代的有机基团； X7 可以选自 C 和 N；X8、X9、X10、X11、X12、X13、X14、X15 和 X16 可以相同或不同，且各自独立选自 C、N、O 和 S；虚线表示的每个键可以存在或不存在；每个 R313 可以相同或不同，且选自 H 和取代或未取代的有机基团。
• PHARMACEUTICAL COMPOUND
  申请人：IOmet Pharma Ltd.

  公开号：US20200172492A1

  公开（公告）日：2020-06-04

  Provided is a tryptophan-2,3-dioxygenase (TDO) and/or indoleamine-2,3-dioxygenase (IDO) inhibitor compound for use in medicine, which compound comprises formula (I) wherein X 1 , and X 2 may be the same or different and each is independently selected from C, N, O and S; X 3 , X 4 , X 5 , and X 6 may be the same or different and each is independently selected from C and N; each bond represented by a dotted line may be present or absent, provided that at least one such bond is present; R 1 , R 2 , R 3 , R 4 , R 5 and R 6 may be present or absent and may be the same or different and each is independently selected from H and a substituted or unsubstituted organic group, provided that the number of R 1 , R 2 , R 3 , R 4 , R 5 and R 6 groups present is such that the respective valencies of X 1 , X 2 , X 3 , X 4 , X 5 , and X 6 are maintained; and wherein at least one of R 5 and R 6 comprises a group Y, wherein Y is a group having a formula selected from (II), (III), (IV), (V), (VI), (VII) wherein L may be present or absent, and may be a substituted or unsubstituted organic linking group; R 31 and R 32 may be the same or different and are selected from H and a substituted or unsubstituted organic group; each R 34 may be the same or different and is selected from H and a substituted or unsubstituted organic group; R 35 is selected from a substituted or unsubstituted alcohol group or ether group; each R 36 may be the same or different and is selected from H and a substituted or unsubstituted organic group; X 7 may be selected from C and N; X 8 , X 9 , X 10 , X 11 , X 12 , X 13 , X 14 , X 15 and X 16 may be the same or different and each is independently selected from C, N, O and S; each bond represented by a dotted line may be present or absent; and each R 313 may be the same or different and is selected from H and a substituted or unsubstituted organic group.
• [EN] PHARMACEUTICAL COMPOUND<br/>[FR] COMPOSÉ PHARMACEUTIQUE
  申请人：IOMET PHARMA LTD

  公开号：WO2016071293A2

  公开（公告）日：2016-05-12

  Provided is a tryptophan-2,3-dioxygenase (TDO) and/or indoleamine-2,3-dioxygenase (IDO) inhibitor compound for use in medicine, which compound comprises formula (I) wherein X1, and X2 may be the same or different and each is independently selected from C, N, O and S; X3, X4, X5, and X6 may be the same or different and each is independently selected from C and N; each bond represented by a dotted line may be present or absent, provided that at least one such bond is present; R1, R2, R3, R4, R5 and R6 may be present or absent and may be the same or different and each is independently selected from H and a substituted or unsubstituted organic group, provided that the number of R1, R2, R3, R4, R5 and R6 groups present is such that the respective valencies of X1, X2, X3, X4, X5, and X6 are maintained; and wherein at least one of R5 and R6 comprises a group Y, wherein Y is a group having a formula selected from (II), (III), (IV), (V), (VI), (VII) wherein L may be present or absent, and may be a substituted or unsubstituted organic linking group; R31 and R32 may be the same or different and are selected from H and a substituted or unsubstituted organic group; each R34 may be the same or different and is selected from H and a substituted or unsubstituted organic group; R35 is selected from a substituted or unsubstituted alcohol group or ether group; each R36 may be the same or different and is selected from H and a substituted or unsubstituted organic group; X7 may be selected from C and N; X8, X9, X10, X11, X12, X13, X14, X15 and X16 may be the same or different and each is independently selected from C, N, O and S; each bond represented by a dotted line may be present or absent; and each R313 may be the same or different and is selected from H and a substituted or unsubstituted organic group.