rac-succinic acid mono-(4-{18-[4-(3-carboxy-propionyloxy)-2,6,6-trimethyl-3-oxo-cyclohex-1-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl}-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl) ester | 769935-71-9

• 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: rac-succinic acid mono-(4-{18-[4-(3-carboxy-propionyloxy)-2,6,6-trimethyl-3-oxo-cyclohex-1-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl}-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl) ester
• 英文别名: astaxanthin succinate diester；succinic acid mono-(4-{18-[4-(3-carboxy-propionyloxy)-2,6,6-trimethyl-3-oxo-cyclohex-1-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl}-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl)ester；4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(3-carboxypropanoyloxy)-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxy-4-oxobutanoic acid
• CAS: 769935-71-9
• 化学式: C₄₈H₆₀O₁₀
• 分子量: 796.998
• InChiKey: MUSBCQQQJBPMIT-PQGKQKRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  58
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  rac-succinic acid mono-(4-{18-[4-(3-carboxy-propionyloxy)-2,6,6-trimethyl-3-oxo-cyclohex-1-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl}-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl) ester 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 以67%的产率得到cardax
  参考文献：
  名称：

  [EN] SMALL MOLECULE COMPOUNDS TO SUPPORT HEALTHY HUMAN AGING
  [FR] COMPOSÉS À PETITES MOLÉCULES POUR FAVORISER UN VIEILLISSEMENT HUMAIN SAIN

  摘要：

  本文揭示了一种激活主体中FOXO3基因表达的方法，包括向主体施用小分子化合物（如虾青素和/或一个或多个虾青素衍生物）或其药用可接受盐，以足够数量至少部分增加主体中表达的FoxO3的方法。

  公开号：

  WO2018183353A1
• 作为产物：
  描述：

  丁二酸酐 、 3,3'-dihydroxy-β,β-carotene-4,4'-dione 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以100%的产率得到rac-succinic acid mono-(4-{18-[4-(3-carboxy-propionyloxy)-2,6,6-trimethyl-3-oxo-cyclohex-1-enyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl}-3,5,5-trimethyl-2-oxo-cyclohex-3-enyl) ester
  参考文献：
  名称：

  [EN] SMALL MOLECULE COMPOUNDS TO SUPPORT HEALTHY HUMAN AGING
  [FR] COMPOSÉS À PETITES MOLÉCULES POUR FAVORISER UN VIEILLISSEMENT HUMAIN SAIN

  摘要：

  本文揭示了一种激活主体中FOXO3基因表达的方法，包括向主体施用小分子化合物（如虾青素和/或一个或多个虾青素衍生物）或其药用可接受盐，以足够数量至少部分增加主体中表达的FoxO3的方法。

  公开号：

  WO2018183353A1

文献信息

• CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, OR PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF
  申请人：FUJI CHEMICAL INDUSTRIES CO., LTD.

  公开号：US20170081289A1

  公开（公告）日：2017-03-23

  The object of the present invention is to find a carotenoid compound that is excellent in water solubility. A carotenoid derivative having a formula (I): wherein X represents a carbonyl group or a methylene group, one of R 1 and R 2 represents (a) or (b) and the other represents (a), (b), (c) or a hydrogen atom: (a): —CO-A-B-D wherein A represents an alkylene group an alkenylene group, etc., B represents a formula of —S(O) n — or a formula of —NR 4 CONR 5 — and D represents a hydrogen atom, a carboxy group, etc., (b): —CO-E-F wherein E represents an alkylene group or a formula of —NR 3 — wherein R 3 represents (a1) a hydrogen atom, (b1) an alkyl group etc., and F represents a sulfo group and (c): —CO-G wherein G represents a hydrogen atom, an alkyl group, etc., a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable ester or amide thereof.

  本发明的目的是找到一种在水溶性方面表现优异的类胡萝卜素化合物。 具有以下式（I）的类胡萝卜素衍生物： 其中 X代表羰基或亚甲基中的一个，R 1 和R 2 中的一个代表（a）或（b），另一个代表（a）、（b）、（c）或氢原子： （a）：—CO-A-B-D，其中A代表烷基、烯基等，B代表—S(O) n —的式或—NR 4 CONR 5 —的式，D代表氢原子、羧基等， （b）：—CO-E-F，其中E代表烷基或—NR 3 —的式，其中R 3 代表（a1）氢原子、（b1）烷基等，F代表磺酰基， （c）：—CO-G，其中G代表氢原子、烷基等， 其药学上可接受的盐，或其药学上可接受的酯或酰胺。
• Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors
  申请人：Lockwood Samuel F.

  公开号：US20080293679A1

  公开（公告）日：2008-11-27

  Administering carotenoids, and in particular xanthophyll carotenoids, or analogs or derivatives of astaxanthin, lutein, zeaxanthin, lycoxanthin, lycophyll, or lycopene to a subject undergoing treatment with COX-2 inhibitor drugs may reduce at least a portion of the adverse side effects associated with administration of COX-2 selective inhibitor drugs. The carotenoids, or analogs or derivatives thereof may be administered to a subject prior to, at the same time as, or after the commencement of COX-2 selective inhibitor drug therapy. The carotenoids, or analogs or derivatives thereof may be administered to a subject concurrently with COX-2 selective inhibitor drugs therapy. The carotenoids, or analogs or derivatives thereof may be incorporated into pharmaceutical preparation in combination with the COX-2 selective inhibitor drug or may be administered separately. Administration of the analogs or derivatives described herein may reduce peroxidation of LDL and other lipids in the serum and plasma cell membranes of subjects undergoing COX-2 selective inhibitor drug therapy. Administration of the analogs or derivatives described herein may reduce the incidence of deleterious clinical cardiovascular events undergoing COX-2 selective inhibitor drug therapy.

  向正在接受COX-2抑制剂治疗的受试者施用类胡萝卜素，特别是黄质类胡萝卜素，或者是天然类胡萝卜素的类似物或衍生物，如虾青素、叶黄素、玉米黄质、莱科黄素、莱科菲或番茄红素，可能会减少与使用COX-2选择性抑制剂药物相关的不良副作用的至少一部分。这些类胡萝卜素，或者是其类似物或衍生物，可以在受试者开始接受COX-2选择性抑制剂药物治疗之前、同时或之后进行施用。这些类胡萝卜素，或者是其类似物或衍生物，可以与COX-2选择性抑制剂药物治疗同时进行施用。这些类胡萝卜素，或者是其类似物或衍生物，可以与COX-2选择性抑制剂药物组合在一起制成药物制剂，也可以单独施用。施用本文所述的类似物或衍生物可能会减少正在接受COX-2选择性抑制剂药物治疗的受试者血清和血浆细胞膜中低密度脂蛋白和其他脂质的过氧化。施用本文所述的类似物或衍生物可能会减少正在接受COX-2选择性抑制剂药物治疗的受试者发生有害的临床心血管事件的几率。
• Carotenoid analogs or derivatives for controlling connexin 43 expression
  申请人：Lockwood Fournier Samuel

  公开号：US20050009930A1

  公开（公告）日：2005-01-13

  A method of controlling (e.g., influencing or affecting) connexin 43 expression in a subject may include administering to the subject an effective amount of a pharmaceutically acceptable formulation. In some embodiments, controlling connexin 43 expression in a subject may effectively treat cardiac arrhythmia and/or cancerous and pre-cancerous cells in a subject. The pharmaceutically acceptable formulation may include a synthetic analog or derivative of a carotenoid. The subject may be administered a carotenoid analog or derivative, either alone or in combination with another carotenoid analog or derivative, or co-antioxidant formulation. The carotenoid analog may include a conjugated polyene with between 7 to 14 double bonds. The conjugated polyene may include an acyclic alkene including at least one substituent and/or a cyclic ring including at least one substituent. In some embodiments, a carotenoid analog or derivative may include at least one substituent.

  在一个主体中控制（例如，影响或影响）连接蛋白43表达的方法可能包括向该主体施用有效量的药学上可接受的配方。在某些实施例中，控制主体中连接蛋白43的表达可能有效治疗心律失常和/或癌症和癌前细胞。药学上可接受的配方可能包括类胡萝卜素的合成类似物或衍生物。可以向主体施用类胡萝卜素类似物或衍生物，单独或与另一类胡萝卜素类似物或衍生物或共抗氧化剂配方结合使用。类胡萝卜素类似物可能包括具有7到14个双键的共轭聚烯。共轭聚烯可能包括至少一个取代基的非环烯烃和/或至少一个取代基的环状环。在某些实施例中，类胡萝卜素类似物或衍生物可能包括至少一个取代基。
• Carotenoid analogs or derivatives for the inhibition and amelioration of liver disease
  申请人：Lockwood Fournier Samuel

  公开号：US20050004235A1

  公开（公告）日：2005-01-06

  A method of treating liver disease in a subject. The method may include administering to the subject an effective amount of a pharmaceutically acceptable formulation. The pharmaceutically acceptable formulation may include a synthetic analog or derivative of a carotenoid. The subject may be administered a carotenoid analog or derivative, either alone or in combination with another carotenoid analog or derivative, or co-antioxidant formulation. The carotenoid analog may include a conjugated polyene with between 7 to 14 double bonds. The conjugated polyene may include an acyclic alkene including at least one substituent and/or a cyclic ring including at least one substituent. In some embodiments, a carotenoid analog or derivative may include at least one substituent.

  一种治疗主体肝病的方法。该方法可能包括向主体施用有效量的药学上可接受的配方。药学上可接受的配方可能包括类胡萝卜素的合成类似物或衍生物。可以向主体施用类胡萝卜素类似物或衍生物，单独或与另一种类胡萝卜素类似物或衍生物或共抗氧化剂配方结合。类胡萝卜素类似物可能包括具有7到14个双键的共轭聚烯烃。共轭聚烯烃可能包括至少一个取代基的无环烯烃和/或至少一个取代基的环状环。在某些实施例中，类胡萝卜素类似物或衍生物可能包括至少一个取代基。
• Carotenoid ether analogs or derivatives for the inhibition and amelioration of disease
  申请人：Lockwood Fournier Samuel

  公开号：US20050009758A1

  公开（公告）日：2005-01-13

  A method for inhibiting and/or ameliorating the occurrence of diseases associated with reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals in a subject whereby a subject is administered a carotenoid analog or derivative, either alone or in combination with another carotenoid analog or derivative, or co-antioxidant formulation. The analog or derivative is administered such that the subject's risk of experiencing diseases associated with reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals may be thereby reduced. The analog or analog combination may be administered to a subject for the inhibition and/or amelioration of any disease that involves production of reactive oxygen species, reactive nitrogen species, radicals and/or non-radicals. In some embodiments, the invention may include a chemical compound including an at least partially water soluble carotenoid analog or derivative. The carotenoid analog may include a conjugated polyene with between 7 to 14 double bonds. The conjugated polyene may include a cyclic ring including at least one substituent. In some embodiments, a cyclic ring of a carotenoid analog or derivative may include at least one substituent. The substituent may be coupled to the cyclic ring with an ether functionality.

  一种抑制和/或改善与主体中的活性氧化物种、活性氮物种、自由基和/或非自由基相关疾病发生的方法，其中向主体施用类胡萝卜素类似物或衍生物，单独或与另一类胡萝卜素类似物或衍生物或共抗氧化剂配方结合。类似物或衍生物的施用使得主体发生与活性氧化物种、活性氮物种、自由基和/或非自由基相关疾病的风险可能降低。类似物或类似物组合可用于抑制和/或改善涉及活性氧化物种、活性氮物种、自由基和/或非自由基产生的任何疾病。在某些实施例中，该发明可能包括一种包括至少部分水溶性类胡萝卜素类似物或衍生物的化合物。类胡萝卜素类似物可能包括具有7到14个双键的共轭聚烯。共轭聚烯可能包括包括至少一个取代基的环状环。在某些实施例中，类胡萝卜素类似物或衍生物的环状环可能包括至少一个取代基。该取代基可能通过醚功能基与环状环相耦合。