(4Z,7Z,10Z,13Z,16Z,19Z)-1-(hexadecyloxy)-3-hydroxypropan-2-yl docosa-4,7,10,13,16,19-hexaenoate | 1233733-97-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: (4Z,7Z,10Z,13Z,16Z,19Z)-1-(hexadecyloxy)-3-hydroxypropan-2-yl docosa-4,7,10,13,16,19-hexaenoate
• 英文别名: (1-hexadecoxy-3-hydroxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
• CAS: 1233733-97-5
• 化学式: C₄₁H₇₀O₄
• 分子量: 627.004
• InChiKey: BXCNAZQNFPLDDG-YKPVOZFUSA-N

物化性质

• 沸点：
  679.5±55.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  45
• 可旋转键数：
  34
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-乙酰基-L-半胱氨酸 、 (4Z,7Z,10Z,13Z,16Z,19Z)-1-(hexadecyloxy)-3-hydroxypropan-2-yl docosa-4,7,10,13,16,19-hexaenoate 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 (4Z,7Z,10Z,13Z,16Z,19Z)-1-(2-acetamido-3-mercaptopropanoyloxy)-3-(hexadecyloxy)propan-2-yl docosa-4,7,10,13,16,19-hexaenoate
  参考文献：
  名称：

  [EN] PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING
  [FR] COMPOSÉS PLASMALOGÈNES, COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI ET PROCÉDÉS POUR TRAITER LES MALADIES LIÉES AU VIEILLISSEMENT

  摘要：

  公开号：

  WO2010071988A8
• 作为产物：
  描述：

  C₄₇H₈₄O₄Si 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 以53%的产率得到(4Z,7Z,10Z,13Z,16Z,19Z)-1-(hexadecyloxy)-3-hydroxypropan-2-yl docosa-4,7,10,13,16,19-hexaenoate
  参考文献：
  名称：

  [EN] PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING
  [FR] COMPOSÉS PLASMALOGÈNES, COMPOSITIONS PHARMACEUTIQUES CONTENANT CEUX-CI ET PROCÉDÉS POUR TRAITER LES MALADIES LIÉES AU VIEILLISSEMENT

  摘要：

  公开号：

  WO2010071988A8

文献信息

• METHODS FOR THE TREATMENT OF SENILE DEMENTIA OF THE ALZHEIMER'S TYPE
  申请人：Goodenowe Dayan Burke

  公开号：US20120129934A1

  公开（公告）日：2012-05-24

  The present invention relates to the diagnosis, risk assessment, prevention, and treatment of Senile Dementia of the Alzheimer's Type (SDAT). More specifically the present invention relates to the measurement of ethanolamine phospholipids in human serum. Subsets of these molecules are significantly altered in subjects with pathologically confirmed deposits of β-amyloid versus subjects without β-amyloid deposits and in subjects with a clinical manifestation of dementia consistent with a diagnosis of SDAT versus non-demented controls. Further, the invention relates to the diagnosis of various stages of SDAT, the early detection and prevention of SDAT symptoms, the treatment of SDAT, the differential diagnosis of non-SDAT dementia, and the identification of molecular targets for which chemical or biological treatments can be designed for the therapeutic intervention of SDAT. The present invention also relates to methods of using a molecular diagnostic assay to direct and select the appropriate therapeutic intervention for subjects suffering from dementia. The present invention also relates to small molecules or metabolites that are found to have significantly different abundances between persons with a clinical manifestation of SDAT and normal, non-demented patients.

  本发明涉及老年性阿尔茨海默病（SDAT）的诊断、风险评估、预防和治疗。具体而言，本发明涉及在人血清中测量乙醇胺磷脂。这些分子的子集在具有病理证实的β-淀粉样蛋白沉积的受试者与没有β-淀粉样蛋白沉积的受试者以及具有与SDAT诊断一致的痴呆临床表现的受试者与非痴呆对照组之间显着改变。此外，本发明涉及SDAT的各个阶段的诊断、早期检测和预防SDAT症状、SDAT的治疗、非SDAT痴呆的鉴别诊断以及为化学或生物治疗设计的分子靶点的识别，以进行SDAT的治疗干预。本发明还涉及使用分子诊断检测来指导和选择适当的治疗干预方法，以治疗患有痴呆的受试者的方法。本发明还涉及在具有SDAT临床表现和正常非痴呆患者之间具有显着不同丰度的小分子或代谢产物。
• METHOD FOR LOWERING CHOLESTEROL
  申请人：GOODENOWE Dayan Burke

  公开号：US20130046016A1

  公开（公告）日：2013-02-21

  The present invention relates to a method of lowering cholesterol in a patient in need thereof by administering to said patient a therapeutic effective amount of a compound selected from the group of Dihydroxyacetone phosphate (DHAP); 1-acyl-DHAP; 1-alkyl-DHAP; 1-alkyl-glyceraldehyde-3-phosphate (G3P); 1-alkyl, 2-acyl-G3P; 1-alkyl, 2-acyl-glycerol; 1-alkyl,2-acyl-glycerylphosphatidylethanolamine (GPE), 1-alkyl, diacyl glycerol (sn-1=16:0, sn-2=docosohexaenoic acid (DHA); sn-3=DHA) (sn-1 position has an alkyl ether bond, sn-2 and sn-3 positions have acyl bonds); 1-alkyl diacyl glycerol (sn-1=16:0, sn-2=18:1, sn-3=18:1) (sn-1 position has an alkyl ether bond, sn-2 and sn-3 positions have acyl bonds); triacyl glycerol (sn-1=16:0, sn-2=DHA, sn-3=DHA) (all three positions have acyl bonds); and triacyl glycerol (sn-1=16:0, sn-2=18:1, sn-3=18:1) (all three positions have acyl bonds) and pharmaceutically acceptable salts thereof.

  本发明涉及一种通过向需要降低胆固醇的患者施用从Dihydroxyacetone phosphate（DHAP）；1-acyl-DHAP；1-alkyl-DHAP；1-alkyl-glyceraldehyde-3-phosphate（G3P）；1-alkyl，2-acyl-G3P；1-alkyl，2-acyl-glycerol；1-alkyl，2-acyl-glycerylphosphatidylethanolamine（GPE）；1-alkyl，二酰基甘油酯（sn-1=16：0，sn-2=二十二碳六烯酸（DHA）；sn-3=DHA）（sn-1位具有烷基醚键，sn-2和sn-3位具有酰键）；1-烷基二酰基甘油酯（sn-1=16：0，sn-2=18：1，sn-3=18：1）（sn-1位具有烷基醚键，sn-2和sn-3位具有酰键）；三酰基甘油酯（sn-1=16：0，sn-2=DHA，sn-3=DHA）（所有三个位置均具有酰键）；以及三酰基甘油酯（sn-1=16：0，sn-2=18：1，sn-3=18：1）（所有三个位置均具有酰键）和其药学上可接受的盐的治疗有效量的化合物降低患者胆固醇的方法。
• METHOD FOR THE TREATMENT OF SENILE DEMENTIA OF THE ALZHEIMER'S TYPE
  申请人：Phenomenome Discoveries Inc.

  公开号：US20150306057A1

  公开（公告）日：2015-10-29

  The present invention relates to the diagnosis, risk assessment, prevention, and treatment of Senile Dementia of the Alzheimer's Type (SDAT). More specifically the present invention relates to the measurement of ethanolamine phospholipids in human serum. Subsets of these molecules are significantly altered in subjects with pathologically confirmed deposits of β-amyloid versus subjects without β-amyloid deposits and in subjects with a clinical manifestation of dementia consistent with a diagnosis of SDAT versus non-demented controls. Further, the invention relates to the diagnosis of various stages of SDAT, the early detection and prevention of SDAT symptoms, the treatment of SDAT, the differential diagnosis of non-SDAT dementia, and the identification of molecular targets for which chemical or biological treatments can be designed for the therapeutic intervention of SDAT. The present invention also relates to methods of using a molecular diagnostic assay to direct and select the appropriate therapeutic intervention for subjects suffering from dementia. The present invention also relates to small molecules or metabolites that are found to have significantly different abundances between persons with a clinical manifestation of SDAT and normal, non-demented patients.

  本发明涉及老年性阿尔茨海默病（SDAT）的诊断、风险评估、预防和治疗。更具体地，本发明涉及在人体血清中测量乙醇胺磷脂。这些分子的子集在具有病理证实的β-淀粉样蛋白沉积的受试者与没有β-淀粉样蛋白沉积的受试者以及具有与SDAT诊断一致的痴呆临床表现的受试者与非痴呆对照组之间显着改变。此外，本发明涉及SDAT的各个阶段的诊断、早期发现和预防SDAT症状、SDAT的治疗、非SDAT痴呆的鉴别诊断以及可设计用于SDAT治疗干预的化学或生物治疗的分子靶点的鉴定。本发明还涉及使用分子诊断试验来指导和选择适当的治疗干预方法，以治疗患有痴呆的受试者的方法。本发明还涉及在具有SDAT临床表现和正常的非痴呆患者之间具有显着不同丰度的小分子或代谢物。
• 1,4-Dimethoxynaphthalene-2-methyl (‘DIMON’), an oxidatively labile protecting group for synthesis of polyunsaturated lipids
  作者：Jay Tromans、Bian Zhang、Bernard T. Golding

  DOI：10.1039/d3cc04292h

  日期：——

  A new benzyl-type protecting group (1,4-dimethoxynaphthalene-2-methyl, ‘DIMON’) for hydroxyl functions can be selectively removed under oxidative conditions without damaging polyunsaturated fatty acyl groups. Its application is shown by the first synthesis of an ether (plasmanyl) phospholipid containing the docosa-(4Z,7Z,10Z,13Z,16Z,19Z)-hexaenoyl group.

  用于羟基功能的新型苄基型保护基团（1,4-二甲氧基萘-2-甲基，“DIMON”）可以在氧化条件下选择性去除，而不会损坏多不饱和脂肪酰基。其应用通过首次合成含有二十二碳-(4 Z ,7 Z ,10 Z ,13 Z ,16 Z ,19 Z )-己烯酰基的醚(plasmanyl)磷脂来展示。
• Method of lowering cholesterol
  申请人：MED-LIFE DISCOVERIES LP

  公开号：US10123989B2

  公开（公告）日：2018-11-13

  The present invention relates to the method of lowering cholesterol in a patient in need thereof by administering to said patient a therapeutic effective amount of a compound selected from the group consisting of 1-alkyl, 2-acyl-glyceraldehyde-3-phosphate (G3P), 1-alkyl, 2-acyl glycerol and 1-alkyl, 2-acyl-glycerylphosphatidylethanolamine (GPE) or a pharmaceutically acceptable salt thereof.

  本发明涉及通过向有需要的患者施用治疗有效量的选自 1-烷基、2-酰基-甘油醛-3-磷酸酯（G3P）、1-烷基、2-酰基甘油和 1-烷基、2-酰基-甘油磷脂酰乙醇胺（GPE）或其药学上可接受的盐组成的组的化合物来降低患者胆固醇的方法。