5-[(1E,5E)-7-acetoxy-1,5-dimethyl-1,5-heptadienyl]-2,2-dimethyl-3-oxolen-3-yl pivalate | 1181727-06-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-[(1E,5E)-7-acetoxy-1,5-dimethyl-1,5-heptadienyl]-2,2-dimethyl-3-oxolen-3-yl pivalate
• 英文别名: [2-[(2E,6E)-8-acetyloxy-6-methylocta-2,6-dien-2-yl]-5,5-dimethyl-2H-furan-4-yl] 2,2-dimethylpropanoate
• CAS: 1181727-06-9
• 化学式: C₂₂H₃₄O₅
• 分子量: 378.509
• InChiKey: UAEMXHZFYFFLLP-KSELWQEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[(1E,5E)-7-acetoxy-1,5-dimethyl-1,5-heptadienyl]-2,2-dimethyl-3-oxolen-3-yl pivalate 在 四溴化碳 、 三辛基膦 、 sodium methylate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 7.0h， 生成 5-[(1E,5E)-7-bromo-1,5-dimethyl-1,5-heptadienyl]-4,5-dihydro-2,2-dimethyl-3(2H)-furanone
  参考文献：
  名称：

  (±)-Ascofuranone 的短而有效的全合成

  摘要：

  Ascofuranone 是一种有效的锥虫替代氧化酶抑制剂。从乙酸香叶酯开始，仅需 7 个步骤即可完成 (±)-ascofuranone 的短而有效的全合成。...

  DOI：

  10.1246/cl.2010.622
• 作为产物：
  描述：

  2-甲基-3-丁炔-2-醇 在 吡啶 、 4-二甲氨基吡啶 、 silver tetrafluoroborate 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 甲苯 为溶剂， 反应 23.0h， 生成 5-[(1E,5E)-7-acetoxy-1,5-dimethyl-1,5-heptadienyl]-2,2-dimethyl-3-oxolen-3-yl pivalate
  参考文献：
  名称：

  EP2636663

  摘要：

  公开号：

文献信息

• Novel Dihydroxybenzene Derivatives and Antiprotozoal Agent Comprising Same as Active Ingredient
  申请人：Saimoto Hiroyuki

  公开号：US20130296422A1

  公开（公告）日：2013-11-07

  Novel compounds below are useful for preventing or treating diseases caused by protozoans. At least one of a compound represented by Formula (I) (wherein, X represents a hydrogen atom or a halogen atom; R 1 represents a hydrogen atom; R 2 represents a hydrogen atom or a C 1-7 alkyl group; R 3 represents —CHO, —C(═O)R 5 , —COOR 5 (wherein R 5 represents a C 1-7 alkyl group), —CH 2 OH or —COOH; and R 4 represents a C 1-16 alkyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s), a C 2-16 alkenyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s), or a C 2-16 alkynyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s)), an optical isomer thereof, and a pharmaceutically acceptable salt is used.

  以下新化合物对于预防或治疗由原虫引起的疾病是有用的。其中至少一种由公式（I）表示的化合物（其中，X表示氢原子或卤素原子；R1表示氢原子；R2表示氢原子或C1-7烷基；R3表示—CHO，—C（═O）R5，—COOR5（其中R5表示C1-7烷基），—CH2OH或—COOH；R4表示具有一个或多个取代基的C1-16烷基，在末端碳原子和/或非末端碳原子上，具有一个或多个取代基的C2-16烯基，或者具有一个或多个取代基的C2-16炔基），其光学异构体和药学上可接受的盐被使用。
• NOVEL DIHYDROXYBENZENE DERIVATIVES AND ANTIPROTOZOAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT
  申请人：aRigen Pharmaceuticals, Inc.

  公开号：EP2636663A1

  公开（公告）日：2013-09-11

  Novel compounds below are useful for preventing or treating diseases caused by protozoans. At least one of a compound represented by Formula (I) (wherein, X represents a hydrogen atom or a halogen atom; R1 represents a hydrogen atom; R2 represents a hydrogen atom or a C1-7 alkyl group; R3 represents -CHO, -C(=O)R5, -COOR5 (wherein R5 represents a C1-7 alkyl group), -CH2OH or -COOH; and R4 represents a C1-16 alkyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s), a C2-16 alkenyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s), or a C2-16 alkynyl group having one or more substituents on a terminal carbon atom and/or non-terminal carbon atom(s)), an optical isomer thereof, and a pharmaceutically acceptable salt is used.

  以下新型化合物可用于预防或治疗由原生动物引起的疾病。至少一种由式（I）代表的化合物 (其中，X 代表氢原子或卤原子；R1 代表氢原子；R2 代表氢原子或 C1-7 烷基；R3 代表 -CHO、-C(＝O)R5、-COOR5（其中 R5 代表 C1-7 烷基）、-CH2OH 或 -COOH；和 R4 代表在末端碳原子和/或非末端碳原子上具有一个或多个取代基的 C1-16 烷基、在末端碳原子和/或非末端碳原子上具有一个或多个取代基的 C2-16 烯基或在末端碳原子和/或非末端碳原子上具有一个或多个取代基的 C2-16 烷基）、其光学异构体和药学上可接受的盐。
• DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR
  申请人：NAI Inc.

  公开号：EP2857010A1

  公开（公告）日：2015-04-08

  The present invention provides a novel dihydroorotic acid dehydrogenase inhibitor which is applicable to various diseases. When used as an active ingredient, a compound represented by formula (I): (wherein X represents a halogen atom, R1 represents a hydrogen atom, R2 represents an alkyl group containing 1 to 7 carbon atoms, R3 represents -CHO, and R4 represents -CH2-CH=C(CH3)-R0 (wherein R0 represents an alkyl group containing 1 to 12 carbon atoms which may have a substituent on the terminal carbon and/or on a non-terminal carbon, etc.)), an optical isomer thereof or a pharmaceutically acceptable salt thereof has a high inhibitory effect on dihydroorotic acid dehydrogenase and can be used as an immunosuppressive agent, a therapeutic agent for rheumatism, an anticancer agent, a therapeutic agent for graft rejection, an antiviral agent, an anti-H. pylori agent, a therapeutic agent for diabetes or the like.

  本发明提供了一种适用于各种疾病的新型二氢乳清酸脱氢酶抑制剂。当用作活性成分时，由式（I）代表的化合物： 其中 X 代表卤原子 R1 代表氢原子 R2 代表含有 1 至 7 个碳原子的烷基、 R3 代表-CHO，以及 R4代表-CH2-CH=C(CH3)-R0（其中 R0 代表含有 1 至 12 个碳原子的烷基，该烷基的末端碳上和/或非末端碳上可能有取代基等））、 其光学异构体或其药学上可接受的盐对二氢乳清酸脱氢酶有很强的抑制作用，可用作免疫抑制剂、风湿病治疗剂、抗癌剂、移植物排斥治疗剂、抗病毒剂、抗幽门螺杆菌剂、糖尿病治疗剂等。
• DIHYDROOROTIC AND ACID DEHYDROGENASE INHIBITOR
  申请人：NAI INC.

  公开号：US20160296494A1

  公开（公告）日：2016-10-13

  The present invention provides a novel dihydroorotic acid dehydrogenase inhibitor which is applicable to various diseases. When used as an active ingredient, a compound represented by formula (I): (wherein X represents a halogen atom, R 1 represents a hydrogen atom, R 2 represents an alkyl group containing 1 to 7 carbon atoms, R 3 represents —CHO, and R 4 represents —CH 2 —CH═C(CH 3 )—R 0 (wherein R 0 represents an alkyl group containing 1 to 12 carbon atoms which may have a substituent on the terminal carbon and/or on a non-terminal carbon, etc.)), an optical isomer thereof or a pharmaceutically acceptable salt thereof has a high inhibitory effect on dihydroorotic acid dehydrogenase and can be used as an immunosuppressive agent, a therapeutic agent for rheumatism, an anticancer agent, a therapeutic agent for graft rejection, an antiviral agent, an anti- H. pylori agent, a therapeutic agent for diabetes or the like.
• US9440913B2
  申请人：——

  公开号：US9440913B2

  公开（公告）日：2016-09-13