2,2-Dimethyl-5-[7-(oxan-2-yloxy)heptyl]oxolan-3-one | 1374767-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,2-Dimethyl-5-[7-(oxan-2-yloxy)heptyl]oxolan-3-one
• 英文别名: 2,2-dimethyl-5-[7-(oxan-2-yloxy)heptyl]oxolan-3-one
• CAS: 1374767-69-7
• 化学式: C₁₈H₃₂O₄
• 分子量: 312.45
• InChiKey: QJDHDTJNKWFADB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-5-[7-(oxan-2-yloxy)heptyl]oxolan-3-one 在 草酰氯 、 4-甲基苯磺酸吡啶 、 二甲基亚砜 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 6.67h， 生成 7-(5,5-Dimethyl-4-oxooxolan-2-yl)heptanal
  参考文献：
  名称：

  DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR

  摘要：

  公开号：

  EP2857010B1
• 作为产物：
  描述：

  8-(tetrahydro-2H-pyran-2-yloxy)octan-1-ol 在 正丁基锂 、 草酰氯 、 二甲基亚砜 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 2.75h， 生成 2,2-Dimethyl-5-[7-(oxan-2-yloxy)heptyl]oxolan-3-one
  参考文献：
  名称：

  DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR

  摘要：

  公开号：

  EP2857010B1

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。
• EP2636663
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.
• US9737504B2
  申请人：——

  公开号：US9737504B2

  公开（公告）日：2017-08-22