(8Z,11Z,13E)-15-羟基-8,11,13-二十碳三烯酸 | 13222-49-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: (8Z,11Z,13E)-15-羟基-8,11,13-二十碳三烯酸
• 英文名称: 15-HETrE
• 英文别名: 15-hydroxy-eicosa-8Z,11Z,13E-trienoic acid；15-hydroxyeicosatrienoic acid；(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid
• CAS: 13222-49-6
• 化学式: C₂₀H₃₄O₃
• 分子量: 322.488
• InChiKey: IUKXMNDGTWTNTP-RHDCIPCHSA-N

物化性质

• 沸点：
  487.4±40.0 °C(Predicted)
• 密度：
  0.971±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  23
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  (8Z,11Z,13E)-15-羟基-8,11,13-二十碳三烯酸 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 生成 15-HETrE sodium salt
  参考文献：
  名称：

  [EN] PHARMACEUTICALLY ACCEPTABLE SALTS OF POLYUNSATURATED HYDROXY FATTY ACIDS
  [FR] SELS ACCEPTABLES SUR LE PLAN PHARMACEUTIQUE D'ACIDES GRAS HYDROXYLÉS POLYINSATURÉS

  摘要：

  本公开提供了15-脂氧合酶产物的药用可接受的稳定盐形式，例如15-HETrE赖氨酸盐，包括相同盐的组合物以及制备和使用相同盐的方法。

  公开号：

  WO2015071766A1

文献信息

• Pharmaceutically acceptable salts of fatty acids
  申请人：Dignity Sciences Limited

  公开号：US10017453B2

  公开（公告）日：2018-07-10

  The present disclosure provides pharmaceutically acceptable stable salt forms of 15-lipoxygenase products, such as 15-HETrE lysine salt, compositions comprising same and methods of making and using same.

  本公开提供了药学上可接受的 15-脂氧合酶产品（如 15-HETrE 赖氨酸盐）的稳定盐形式、包含其的组合物以及制造和使用其的方法。
• Topical compositions comprising polyunsaturated fatty acids
  申请人：DS Biopharma Limited

  公开号：US10918614B2

  公开（公告）日：2021-02-16

  The present invention provides a compound which is a polyunsaturated fatty acid (PUFA) derivative of formula (I), or a pharmaceutically acceptable salt, or solvate thereof, for use in treating various skin disorders.

  本发明提供了一种化合物，它是式 (I) 的多不饱和脂肪酸 (PUFA) 衍生物、 或其药学上可接受的盐或溶液，用于治疗各种皮肤疾病。
• USE OF PUFAS FOR TREATING SKIN INFLAMMATION
  申请人：DS Biopharma Limited

  公开号：EP2424520B1

  公开（公告）日：2019-07-24
• USE OF PUFAS TO TREAT NERVE DAMAGE
  申请人：Kelliher Adam

  公开号：US20120122982A1

  公开（公告）日：2012-05-17

  The present invention provides use of compounds which are polyunsaturated fatty acid (PUFA) derivatives of formula (I), in the form of racemates, stereoisomers or mixtures of stereoisomers, or pharmaceutically acceptable salts, or solvates thereof, wherein -AIk- is —(CH 2 ) 4 —CH(OR 2 )-[trans]CH═CH-[cis]CH═CH—, —(CH 2 ) 4 -[cis]CH═CH-[trans]CH═CH—CH(OR 2 )—, —CH(OR 2 )-[trans]CH═CH-[cis]CH═CH—CH 2 -[cis]CH═CH—(CH 2 ) 3 —, —(CH 2 ) 3 —CH(OR 2 )-[trans]CH═CH-[cis]CH═CH—CH 2 -[cis]CH═CH—, or —(CH 2 ) 3 -[cis]CH═CH—CH 2 -[cis]CH═CH-[trans]CH═CH—CH(OR 2 )—; R 1 is a hydrogen atom; or R 1 is a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, C 6 -C 10 aryl, 5- to 10-membered heteroaryl, C 3 -C 7 carbocyclyl or 5- to 10-membered heterocyclyl group; or R 1 is a group of formula —CH 2 —CH(OR 3 )—CH 2 —(OR 4 ), wherein R 3 and R 4 are each independently hydrogen atoms or —(C═O)—R 6 , wherein R 6 is an aliphatic group having from 3 to 29 carbon atoms; or R 1 is a group of formula —(CH 2 OCH 2 ) m OH, wherein m is an integer of from 1 to 200; or R 1 is a drug moiety; each R 2 is the-same or different- and each independently represents a hydrogen atom; or a group —(C═O)—R 5 , wherein R 5 is a C 1 -C 6 alkyl, C 2 -C6 alkenyl, C 2 -C 6 alkynyl, C 6 -C 10 aryl, 5- to 10-membered heteroaryl, C 3 -C 7 carbocyclyl or 5- to 10-membered heterocyclyl group, or R 5 is an aliphatic group having from 3 to 29 carbon atoms, or R 5 is a drug moiety; or a group of formula —(CH 2 OCH 2 ) n OH, wherein n is an integer of from 1 to 200; or a drug moiety; and wherein said alkyl, alkenyl, alkynyl and aliphatic groups are the same or different and are each unsubstituted or substituted with 1, 2 or 3 unsubstituted substituents which are the same or different and are selected from halogen atoms and C 1 -C 4 alkoxy, C 2 -C 4 alkenyloxy, C 1 -C 4 haloalkyl, C 2 -C 4 haloalkenyl, C 1 -C 4 haloalkoxy, C 2 -C 4 haloalkenyloxy, hydroxyl, —SR′, and —NR′R″ groups where R′ and R″ are the same or different and represent hydrogen or unsubstituted C 1 -C 2 alkyl; said aryl, heteroaryl, carbocyclyl and heterocyclyl groups are the same or different and are each unsubstituted or substituted by 1, 2, 3 or 4 unsubstituted substituents which are the same or different and are selected from halogen atoms, and cyano, nitro, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 2 -C 4 alkenyl, C 2 -C 4 alkenyloxy, C 1 -C 4 haloalkyl, C 2 -C 4 haloalkenyl, C 1 -C 4 haloalkoxy, C 2 -C 4 haloalkenyloxy, hydroxyl, C 1 -C 4 hydroxyalkyl, —SR′ and —NR′R″ groups wherein each R′ and R″ is the same or different and represents hydrogen or unsubstituted C 1 -C 4 alkyl; in the manufacture of a medicament for use in treating or preventing nerve damage in a mammal.
• TOPICAL COMPOSITIONS COMPRISING POLYUNSATURATED FATTY ACIDS
  申请人：DIGNITY SCIENCES LIMITED

  公开号：US20150164842A1

  公开（公告）日：2015-06-18

  The present disclosure provides topical compositions comprising a polyunsaturated fatty acid (PUFA) derivative of formula (I): or a salt thereof.