(S)-3-acetamido-4-hydrazinyl-N-((R)-1-hydrazinyl-1-oxo-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propan-2-yl)-4-oxobutanamide | 1227280-55-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (S)-3-acetamido-4-hydrazinyl-N-((R)-1-hydrazinyl-1-oxo-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propan-2-yl)-4-oxobutanamide
• 英文别名: N(1)Cys((E,E)-farnesyl)-NHNH2.Ac-Asp(1)-NHNH2；(3S)-3-acetamido-4-hydrazinyl-N-[(2R)-1-hydrazinyl-1-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]-4-oxobutanamide
• CAS: 1227280-55-8
• 化学式: C₂₄H₄₂N₆O₄S
• 分子量: 510.701
• InChiKey: ILZDKUAZLAJQSI-UHNKOLNVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  194
• 氢给体数：
  6
• 氢受体数：
  7

文献信息

• Isoprenyl Compounds and Methods Thereof
  申请人：Stock Jeffry B.

  公开号：US20100184768A1

  公开（公告）日：2010-07-22

  Among other things, the present invention provides novel isoprenyl compounds capable of effectively modulating inflammatory responses and pharmaceutical, cosmetic, cosmeceutical and topical compositions comprising these isoprenyl compounds. Anti-inflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with inflammation. Proinflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with suppression of inflammatory responses. Thus, the present invention also provides methods useful in the treatment or prevention of diseases or conditions associated with inflammation as well as methods useful in the treatment or prevention of diseases or conditions associated with suppression of inflammatory responses.

  除其他事项外，本发明提供了新型异戊二烯基化合物，能够有效调节炎症反应，并提供包含这些异戊二烯基化合物的药物、化妆品、化妆品和局部组合物。本发明的抗炎化合物可用于治疗或预防与炎症相关的疾病或症状。本发明的促炎化合物可用于治疗或预防与抑制炎症反应相关的疾病或症状。因此，本发明还提供了用于治疗或预防与炎症相关的疾病或症状以及用于治疗或预防与抑制炎症反应相关的疾病或症状的方法。
• 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS
  申请人：AbbVie Deutschland GmbH & Co KG

  公开号：US20130310378A1

  公开（公告）日：2013-11-21

  The present invention relates to novel 4-(4-pyridyl)-benzamides of the formula (I). The compounds I possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of Rho kinases (ROCKs). R 1 and R 2 are, independently of each other, hydrogen, hydroxy, cyano, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy or C 1 -C 8 -haloalkoxy; R 3 , R 4 , R 5 and R 6 are, independently of each other, hydrogen, hydroxy, halogen, cyano, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy, C 1 -C 8 -haloalkoxy, amino, C 1 -C 8 -alkylamino or di-(C 1 -C 8 -alkyl)-amino; R 7 is hydrogen, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, aryl or aryl-C 1 -C 8 -alkyl; R 8 is a group of the formula —X—W, where X is a single bond, C 1 -C 4 -alkylene or C 1 -C 4 -alkylene-O—, where the alkylene group in the three last-mentioned radicals may be linear or branched and may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or may be interrupted by an oxygen atom; and W is a cyclic radical selected from phenyl and a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring which contains as ring members 1, 2 or 3 heteroatoms selected from O, S and N and optionally 1 or 2 carbonyl groups; R 9 is a group of the formula —Y—Z, where Z is hydrogen, halogen, OR 11 , NR 12 R 13 , S(O) m —R 14 , phenyl which may carry 1, 2, 3 or 4 substituents R 15 or a 5- or 6-membered saturated, partly unsaturated or aromatic heterocyclic ring; and Y is linear or branched C 1 C 4 -alkylene which may be partly or fully halogenated and/or may be substituted by a hydroxyl group and/or a phenyl ring; or, in case Z is phenyl or the 5- or 6-membered heterocyclic ring as defined above, Y can also be a single bond.

  本发明涉及公式（I）的新型4-（4-吡啶基）苯甲酰胺化合物。化合物I具有有价值的治疗性能，并且特别适用于治疗对Rho激酶（ROCKs）调节有反应的疾病。其中，R1和R2分别为氢、羟基、氰基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基或C1-C8卤代烷氧基；R3、R4、R5和R6分别为氢、羟基、卤素、氰基、C1-C8烷基、C1-C8卤代烷基、C1-C8烷氧基、C1-C8卤代烷氧基、氨基、C1-C8烷基氨基或二（C1-C8烷基）氨基；R7为氢、C1-C8烷基、C1-C8卤代烷基、芳基或芳基-C1-C8烷基；R8为公式-X-W的基团，其中X为单键、C1-C4烷基或C1-C4烷基-O-，其中所述三个末端基团中的烷基基团可为直链或支链，并且可部分或完全卤代和/或可被羟基基团取代和/或可被氧原子中断；W为苯基和含有1、2或3个O、S和N中选择的杂原子和可选地1或2个羰基基团的5-或6元饱和、部分不饱和或芳香杂环环的环状基团；R9为公式-Y-Z的基团，其中Z为氢、卤素、OR11、NR12R13、S（O）m-R14、可能携带1、2、3或4个取代基R15的苯基或5-或6元饱和、部分不饱和或芳香杂环环；Y为线性或支链C1C4烷基，可部分或完全卤代和/或可被羟基基团和/或苯环取代；或者，如果Z为上述定义的苯基或5-或6元杂环环，则Y也可以是单键。
• ISOPRENYL COMPOUNDS AND METHODS THEREOF
  申请人：Stock Jeffry B.

  公开号：US20130310559A1

  公开（公告）日：2013-11-21

  Among other things, the present invention provides novel isoprenyl compounds capable of effectively modulating inflammatory responses and pharmaceutical, cosmetic, cosmeceutical and topical compositions comprising these isoprenyl compounds. Anti-inflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with inflammation. Proinflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with suppression of inflammatory responses. Thus, the present invention also provides methods useful in the treatment or prevention of diseases or conditions associated with inflammation as well as methods useful in the treatment or prevention of diseases or conditions associated with suppression of inflammatory responses.

  本发明提供了新型异戊烯基化合物，能够有效调节炎症反应，并且包括这些异戊烯基化合物的制药、化妆品、护肤品和局部组合物。本发明的抗炎化合物可用于治疗或预防与炎症相关的疾病或病症。本发明的促炎化合物可用于治疗或预防与抑制炎症反应相关的疾病或病症。因此，本发明还提供了用于治疗或预防与炎症相关的疾病或病症以及用于治疗或预防与抑制炎症反应相关的疾病或病症的方法。
• Isoprenyl compounds and methods thereof
  申请人：Signum Biosciences, Inc.

  公开号：US10314802B2

  公开（公告）日：2019-06-11

  Among other things, the present invention provides novel isoprenyl compounds capable of effectively modulating inflammatory responses and pharmaceutical, cosmetic, cosmeceutical and topical compositions comprising these isoprenyl compounds. Anti-inflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with inflammation. Proinflammatory compounds of the present invention are useful in treating or preventing diseases or conditions associated with suppression of inflammatory responses. Thus, the present invention also provides methods useful in the treatment or prevention of diseases or conditions associated with inflammation as well as methods useful in the treatment or prevention of diseases or conditions associated with suppression of inflammatory responses.

  除其他外，本发明提供了能够有效调节炎症反应的新型异戊烯基化合物，以及包含这些异戊烯基化合物的药物、化妆品、药妆和外用组合物。本发明的抗炎化合物可用于治疗或预防与炎症相关的疾病或病症。本发明的促炎化合物可用于治疗或预防与抑制炎症反应有关的疾病或病症。因此，本发明还提供了治疗或预防与炎症有关的疾病或病症的方法，以及治疗或预防与抑制炎症反应有关的疾病或病症的方法。
• US8372884B2
  申请人：——

  公开号：US8372884B2

  公开（公告）日：2013-02-12