(2E,4E,6Z)-7-[2-butoxy-3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-2,4,6-octatrienoic acid

• 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: (2E,4E,6Z)-7-[2-butoxy-3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-2,4,6-octatrienoic acid
• 英文别名: (2E,4E,6Z)-7-(3,5-di-tert-butyl-2-butyloxyphenyl)-3-methyl-2,4,6-octatrienoic acid；(2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3-methyl-octa-2,4,6-trienoic acid；(2E,4E,6Z)-7-(2-butoxy-3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid
• 化学式: C₂₇H₄₀O₃
• 分子量: 412.613
• InChiKey: ZKCLTMKNJCSCFH-QWHMLTOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2E,4E,6Z)-7-(3,5-di-tert-butyl-2-butyloxyphenyl)-3,7-dimethyl-2,4,6-heptatrienoic acid ethyl ester 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 生成 (2E,4E,6Z)-7-[2-butoxy-3,5-bis(1,1-dimethylethyl)phenyl]-3-methyl-2,4,6-octatrienoic acid
  参考文献：
  名称：

  RETINOID ANTAGONISTS AND USE THEREOF

  摘要：

  公开号：

  EP1161410B1

文献信息

• EXPANSION OF RENEWABLE STEM CELL POPULATIONS
  申请人：Gamida-Cell Ltd.

  公开号：US20160097037A1

  公开（公告）日：2016-04-07

  Ex vivo and in vivo methods of expansion of renewable stem cells, expanded populations of renewable stem cells and their uses.

  离体和体内扩增可再生干细胞的方法，扩增的可再生干细胞群体及其用途。
• Expansion of renewable stem cell populations
  申请人：Peled Tony

  公开号：US20050008624A1

  公开（公告）日：2005-01-13

  Ex vivo and in vivo methods of expansion of renewable stem cells, expanded populations of renewable stem cells and their uses.

  可再生干细胞的离体和体内扩增方法，扩增的可再生干细胞群体及其用途。
• Retinoid antagonists and use thereof
  申请人：Hoffman-La Roche Inc.

  公开号：US06326397B1

  公开（公告）日：2001-12-04

  The present invention relates to novel retinoid antagonists of the formula I wherein the dotted bond can be either hydrogenated or form a double bond; and, when the dotted bond forms a double bond, R1 is lower alkyl and R2 is hydrogen; and, when the dotted bond is hydrogenated, R1 and R2 taken together are methylene to form a cis-substituted cyclopropyl ring; R3 is hydroxy or lower alkoxy; R4 is alkyl or alkoxy; and R5 and R6 are, independently, a C4-12 alkyl or a 5-12 cycloalkyl substituent containing from 1-3 rings which are either unsubstituted or substituted with from 1-3 lower alkyl groups, with the carbon atom of R5 and R6 being linked to the remainder of the molecule to form a quaternary carbon atom pharmaceutically acceptable salts of carbocylic acids of the formula I; as well as method for the treatment of osteoporosis and preneoplastic and neoplastic diseases, and a method for reducing or abolishing adverse events in subjects receiving retinoid agonist treatment by administering a retinoid antagonist.

  本发明涉及一种新型视黄醇拮抗剂，其化学式为I，其中点缀键可以是氢化的或形成双键；当点缀键形成双键时，R1为低碳烷基，R2为氢；当点缀键被氢化时，R1和R2一起取代甲烷基以形成顺式取代的环丙基环；R3为羟基或低碳基氧基；R4为烷基或烷氧基；R5和R6分别为C4-12烷基或含1-3个环的5-12环烷基取代基，这些环可以是未取代的或取代有1-3个低碳基基团，R5和R6的碳原子与分子的其余部分连接以形成一个季铵碳原子，以及化学式I的环烷酸药物可接受的盐；以及治疗骨质疏松症、癌前病变和恶性肿瘤疾病的方法，以及通过给予视黄醇拮抗剂来减少或消除接受视黄醇激动剂治疗的受试者的不良反应的方法。
• Expansion Of Renewable Stem Cell Populations
  申请人：Peled Tony

  公开号：US20110033427A1

  公开（公告）日：2011-02-10

  Ex vivo and in vivo methods of expansion of renewable stem cells, expanded populations of renewable stem cells and their uses.

  可再生干细胞的离体和体内扩增方法、可再生干细胞扩增群体及其用途。
• Treatment of inflammatory diseases by RXR Antagonists
  申请人：Bollag, Werner

  公开号：EP1621191A1

  公开（公告）日：2006-02-01

  Retinoids with retinoid antagonistic activities, especially Retinoid X Receptor antagonists called RXR antagonists, pharmaceutically acceptable salts and pharmaceutically acceptable esters and amides thereof, have been found to be efficacious in the treatment of inflamatory diseases of the skin and mucous membranes, and of other tissues and organs especially by topical or oral administration of RXR antagonists.

  研究发现，具有维甲酸拮抗活性的维甲酸类药物，尤其是被称为 RXR 拮抗剂的维甲酸 X 受体拮抗剂、其药学上可接受的盐类和药学上可接受的酯类和酰胺类药物，特别是通过局部或口服 RXR 拮抗剂，可有效治疗皮肤和粘膜以及其他组织和器官的炎症性疾病。