3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzoic acid
• 英文别名: 3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzoic acid
• 化学式: C₁₈H₂₄O₄
• 分子量: 304.4
• InChiKey: IWEPIJRDQIRPIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

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。
• DIHYDROOROTIC ACID DEHYDROGENASE INHIBITOR
  申请人：Institute of Mitochondria Science, Inc.

  公开号：EP2857010B1

  公开（公告）日：2018-07-04
• PRENYLTRANSFERASE VARIANTS AND METHODS FOR PRODUCTION OF PRENYLATED AROMATIC COMPOUNDS
  申请人：Genomatica, Inc.

  公开号：EP3762487A1

  公开（公告）日：2021-01-13
• 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.
• COMPOSITIONS AND METHODS FOR USING GENETICALLY MODIFIED ORTHOLOGOUS ENZYMES
  申请人：Renew Biopharma, Inc.

  公开号：US20220411766A1

  公开（公告）日：2022-12-29

  Described herein are prenyltransferases including non-natural variants thereof having at least one amino acid substitution as compared to its corresponding natural or unmodified prenyltransferases and that are capable of at least two-fold greater rate of formation of cannabinoids such as cannabigerolic acid, cannabigerovarinic acid, cannabigerorcinic acid, and cannabigerol, as compared to a wild type control. Prenyltransferase variants also accept different hydrophobic substrates (e.g., “donor” molecules), compared to wild type controls, to create different minor and novel cannabinoids. Prenyltransferase variants also demonstrated regioselectivity to desired cannabinoid isomers such as CBGA (3-GOLA), 3-GDVA, 3-GOSA, and CBG (2-GOL). The prenyltransferase variants can be used to form prenylated aromatic compounds, and can be expressed in an engineered microbe having a pathway to such compounds, which include 3-GOLA, 3-GDVA, 3-GOSA, and CBG. 3-GOLA can be used for the preparation of cannabigerol (CBG), which can be used in therapeutic compositions.