7-(di-pyridin-2-yl-amino)-heptanoic acid hydroxyamide | 1238944-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 7-(di-pyridin-2-yl-amino)-heptanoic acid hydroxyamide
• 英文别名: 7-(dipyridin-2-ylamino)-N-hydroxyheptanamide
• CAS: 1238944-39-2
• 化学式: C₁₇H₂₂N₄O₂
• 分子量: 314.387
• InChiKey: QKTORDWLHYWRJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  78.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-(di-pyridin-2-yl-amino)-heptanoic acid ethyl ester 在 羟胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以85%的产率得到7-(di-pyridin-2-yl-amino)-heptanoic acid hydroxyamide
  参考文献：
  名称：

  [EN] SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY
  [FR] ISOSTÈRES DU SCRIPTAID ET LEUR UTILISATION EN THÉRAPIE

  摘要：

  本发明的化合物具有公式(I)：其中：…表示双键，X为C；或…表示单键，X为N、CH或CQR1；并且：n为1至10；R为H或QR1；每个R'独立地选自H和QR1；每个Q独立地选自键、CO、NH、S、SO、SO2或O；每个R1独立地选自C1-C10烷基、C2-C10烯基、C2-C10炔基、取代或不取代的芳基或杂芳基、酰基、C1-C10环烷基、卤素、C1-C10烷基芳基或C1-C10杂环烷基；L是含有氮的杂芳基；W是锌螯合残基；或其药用可接受盐。这些化合物在治疗中有用。

  公开号：

  WO2010086646A1

文献信息

• [EN] NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY<br/>[FR] NOUVEAUX INHIBITEURS D'HISTONE DÉACÉTYLASE ET LEUR UTILISATION EN THÉRAPIE
  申请人：KARUS THERAPEUTICS LTD

  公开号：WO2014072714A1

  公开（公告）日：2014-05-15

  A compound of the formula:(I) or a pharmaceutically acceptable salt thereof, wherein: L is a 5-membered nitrogen-containing heteroaryl which is optionally fused to a benzene; Y is a 5, 6 or 7-membered nitrogen-containing heteroaryl, which is optionally fused to a benzene; and W is a zinc-binding group. The compounds are HDAC inhibitors and therefore have potential utility in therapy.

  一种化合物的公式为：（I）或其药用可接受的盐，其中：L是一个5-成员含氮杂环，可选择地与苯融合；Y是一个5、6或7-成员含氮杂环，可选择地与苯融合；W是一个结合锌的基团。这些化合物是HDAC抑制剂，因此在治疗中具有潜在用途。
• Scriptaid Isosteres and Their Use in Therapy
  申请人：Shuttleworth Stephen Joseph

  公开号：US20110305729A1

  公开（公告）日：2011-12-15

  Compounds of the invention are of the formula (I); wherein: is a double bond and X is C; or is a single bond and X is N, CH or CQR 1 ; and wherein: n is 1 to 10; R is H or QR 1 ; each R′ is independently selected from H and QR 1 ; each Q is independently selected from a bond, CO, NH, S, SO, SO 2 or O; each R 1 is independently selected from C 1 -C 10 alkyl, C2-C10 alkenyl, C2-C10 alkynyl, substituted or unsubstituted aryl or heteroaryl, acyl, C 1 -C 10 cycloalkyl, halogen, C1-C10 alkylaryl or C 1 -C 10 heterocycloalkyl; L is a nitrogen-containing heteroaryl; and W is a zinc-chelating residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in therapy.

  该发明的化合物的公式为(I)；其中：是双键，X是C；或者是单键，X是N，CH或CQR1；其中：n为1到10；R为H或QR1；每个R′分别独立地选自H和QR1；每个Q独立地选自键，CO，NH，S，SO，SO2或O；每个R1独立地选自C1-C10烷基，C2-C10烯基，C2-C10炔基，取代或未取代芳基或杂环芳基，酰基，C1-C10环烷基，卤素，C1-C10烷基芳基或C1-C10杂环烷基；L为含氮杂环芳基；W为螯合锌的残基；或其药学上可接受的盐。这些化合物在治疗中有用。
• Scriptaid isosteres and their use in therapy
  申请人：Shuttleworth Stephen Joseph

  公开号：US08748458B2

  公开（公告）日：2014-06-10

  Compounds of the invention are of the formula (I); wherein: is a double bond and X is C; or is a single bond and X is N, CH or CQR1; and wherein: n is 1 to 10; R is H or QR1; each R′ is independently selected from H and QR1; each Q is independently selected from a bond, CO, NH, S, SO, SO2 or O; each R1 is independently selected from C1-C10 alkyl, C2-C10 alkenyl, C2-C10 alkynyl, substituted or unsubstituted aryl or heteroaryl, acyl, C1-C10 cycloalkyl, halogen, C1-C10 alkylaryl or C1-C10 heterocycloalkyl; L is a nitrogen-containing heteroaryl; and W is a zinc-chelating residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in therapy.

  本发明的化合物的公式为(I)；其中：为双键，X为C；或为单键，X为N，CH或CQR1；且其中：n为1至10；R为H或QR1；每个R'独立地选自H和QR1；每个Q独立地选自键，CO，NH，S，SO，SO2或O；每个R1独立地选自C1-C10烷基，C2-C10烯基，C2-C10炔基，取代或未取代芳基或杂环芳基，酰基，C1-C10环烷基，卤素，C1-C10烷基芳基或C1-C10杂环环烷基；L为含氮杂环；W为螯合锌的残基；或其药学上可接受的盐。这些化合物在治疗中有用。
• SCRIPTAID ISOSTERES AND THEIR USE IN THERAPY
  申请人：Karus Therapeutics Limited

  公开号：US20140235671A1

  公开（公告）日：2014-08-21

  Compounds of the invention are of the formula wherein: is a double bond and X is C; or is a single bond and X is N, CH or CQR 1 ; and wherein: n is 1 to 10; R is H or QR 1 ; each R′ is independently selected from H and QR 1 ; each Q is independently selected from a bond, CO, NH, S, SO, SO 2 or O; each R 1 is independently selected from C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, substituted or unsubstituted aryl or heteroaryl, acyl, C 1 -C 10 cycloalkyl, halogen, C 1 -C 10 alkylaryl or C 1 -C 10 heterocycloalkyl; L is a nitrogen-containing heteroaryl; and W is a zinc-chelating residue; or a pharmaceutically acceptable salt thereof. The compounds are useful in therapy.

  该发明的化合物的分子式为： 其中： - 如果为双键，X为C; - 如果为单键，X为N，CH或CQR1; - n为1至10; - R为H或QR1; - 每个R'独立地选自H和QR1; - 每个Q独立地选自键，CO，NH，S，SO，SO2或O; - 每个R1独立地选自C1-C10烷基，C2-C10烯基，C2-C10炔基，取代或未取代芳基或杂环芳基，酰基，C1-C10环烷基，卤素，C1-C10烷基芳基或C1-C10杂环烷基; - L为含氮杂环芳基; 和 - W为锌螯合残基; 或其药学上可接受的盐。这些化合物在治疗中有用。
• NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY
  申请人：KARUS THERAPEUTICS LTD

  公开号：US20150361074A1

  公开（公告）日：2015-12-17

  A compound of the formula: (I) or a pharmaceutically acceptable salt thereof, wherein: L is a 5-membered nitrogen-containing heteroaryl which is optionally fused to a benzene; Y is a 5, 6 or 7-membered nitrogen-containing heteroaryl, which is optionally fused to a benzene; and W is a zinc-binding group. The compounds are HDAC inhibitors and therefore have potential utility in therapy.

  公式为(I)的化合物或其药学上可接受的盐，其中：L是一种5元杂环氮杂芳基，可以与苯并联；Y是一种5、6或7元杂环氮杂芳基，可以与苯并联；W是一种结合锌的基团。这些化合物是HDAC抑制剂，因此具有潜在的治疗用途。