(R)-2-((R)-2-acetamido-3-hydroxypropanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid | 1307310-91-3

• 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: (R)-2-((R)-2-acetamido-3-hydroxypropanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid
• 英文别名: Ac-D-Ser-Cys((E,E)-farnesyl)((E,E)-farnesyl)-OH；(2R)-2-[[(2R)-2-acetamido-3-hydroxypropanoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
• CAS: 1307310-91-3
• 化学式: C₂₃H₃₈N₂O₅S
• 分子量: 454.631
• InChiKey: GUYDKQFFNRDQQG-YVZMZBQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-乙酰-L-丝氨酸 、 法呢基半胱氨酸 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 (R)-2-((S)-2-acetamido-3-hydroxypropanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid 、 (R)-2-((R)-2-acetamido-3-hydroxypropanamido)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid
  参考文献：
  名称：

  [EN] ISOPRENYL COMPOUNDS AND METHODS THEREOF
  [FR] COMPOSÉS ISOPRÉNYLÉS ET LEURS PROCÉDÉS

  摘要：

  除其他事项外，本发明提供了能够有效调节炎症反应的新异戊二烯化合物，以及包含这些异戊二烯化合物的药用、化妆品、护肤品和局部组合物。本发明的抗炎化合物在治疗或预防与炎症相关的疾病或症状方面是有用的。本发明的促炎化合物在治疗或预防与抑制炎症反应相关的疾病或症状方面是有用的。因此，本发明还提供了在治疗或预防与炎症相关的疾病或症状以及在治疗或预防与抑制炎症反应相关的疾病或症状方面有用的方法。

  公开号：

  WO2010056778A1

文献信息

• USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS
  申请人：Stock Jeffry B.

  公开号：US20110118265A1

  公开（公告）日：2011-05-19

  Disclosed herein are methods of inactivating and/or decolonizing bacteria on a surface. The present invention also discloses methods for treatment of epithelial conditions caused or aggravated by bacteria, such as acne vulgaris, in a subject in need thereof. The present invention additionally discloses inventive compounds and compositions that exhibit anti-bacterial and/or anti-inflammatory effects.

  本文介绍了一种在表面上灭活和/或减少细菌数量的方法。本发明还揭示了一种用于治疗由细菌引起或加重的上皮状况的方法，例如痤疮等。本发明还揭示了具有抗菌和/或抗炎作用的创新化合物和组合物。
• 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。
• Use of anti-bacterial agents for the treatment of epithelial-related conditions
  申请人：Signum Biosciences, Inc.

  公开号：US10117904B2

  公开（公告）日：2018-11-06

  Disclosed herein are methods of inactivating and/or decolonizing bacteria on a surface. The present invention also discloses methods for treatment of epithelial conditions caused or aggravated by bacteria, such as acne vulgaris, in a subject in need thereof. The present invention additionally discloses inventive compounds and compositions that exhibit anti-bacterial and/or anti-inflammatory effects.

  本发明公开了灭活和/或清除表面细菌的方法。本发明还公开了治疗由细菌引起或加重的上皮病症（如寻常痤疮）的方法。本发明还公开了具有抗菌和/或消炎作用的本发明化合物和组合物。
• Isoprenyl Compounds and Methods Thereof
  申请人：SIGNUM BIOSCIENCES, INC.

  公开号：US20160361283A1

  公开（公告）日：2016-12-15

  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.
• US9376383B2
  申请人：——

  公开号：US9376383B2

  公开（公告）日：2016-06-28