3-氯-4,6-二羟基-2-甲基-5-[(2E,6E)-3,7,11-三甲基-2,6,10-十二碳三烯基]苯甲醛 | 22581-06-2

• 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
• 中文名称: 3-氯-4,6-二羟基-2-甲基-5-[(2E,6E)-3,7,11-三甲基-2,6,10-十二碳三烯基]苯甲醛
• 英文名称: 5-chloro-2,4-dihydroxy-6-methyl-3-<(2'E,6'E)-3',7',11'-trimethyl-2'6'10'-dodecatrienyl>benzaldehyde
• 英文别名: (E,E)-3-chloro-4,6-dihydroxy-5-(3,7,11-trimethyl-2,6,10-dodecatienyl)-2-methylbenzaldehyde；LL-Z 1272α；ilicicolin A；LL-Z1272α；5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
• CAS: 22581-06-2
• 化学式: C₂₃H₃₁ClO₃
• 分子量: 390.95
• InChiKey: MHWOMRMBQGSTFS-JTCWOHKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  反,反-法呢基溴 在 N-氯代丁二酰亚胺 、 乙基溴化镁 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 calcium carbonate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.67h， 生成 3-氯-4,6-二羟基-2-甲基-5-[(2E,6E)-3,7,11-三甲基-2,6,10-十二碳三烯基]苯甲醛
  参考文献：
  名称：

  Synthesis of (±)-ascochlorin, (±)-ascofuranone and LL-Z1272

  摘要：

  DOI：

  10.1016/s0040-4020(01)96890-5

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
• MEROTERPENOID COMPOUNDS FOR USE IN THE PREVENTION AND TREATMENT OF A NEUROLOGICAL DISORDER
  申请人：Société des Produits Nestlé S.A.

  公开号：EP3681488A1

  公开（公告）日：2020-07-22
• 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.
• METHOD OF PRODUCING ISOPRENOIDS AND PROTEINS, GENES, AND TRANSFORMANTS FOR THE SAME
  申请人：KIKKOMAN CORPORATION

  公开号：US20200063143A1

  公开（公告）日：2020-02-27

  The problem to be solved by the present invention is to provide a method of producing isoprenoids including ascofuranone, ilicicolin A, and ascochlorin and derivatives thereof in a high yield as compared to the conventional art, which method enables industrial-scale production of isoprenoids. The problem can be solved by a method of producing isoprenoids such as ascofuranone, ilicicolin A, and ascochlorin, including using a transformant obtained by transformation with biosynthetic genes for ascofuranone, ilicicolin A, or ascochlorin or a knockout organism for these genes to obtain isoprenoids such as ascofuranone, ilicicolin A, and ascochlorin.