2-[(2'E,6'E,10'E)-3',7',11',15'-tetramethyl-2',6',10',14'-hexadecatetraenyl]-1,4-naphthoquinone | 70240-60-7

• 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: 2-[(2'E,6'E,10'E)-3',7',11',15'-tetramethyl-2',6',10',14'-hexadecatetraenyl]-1,4-naphthoquinone
• 英文别名: 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione
• CAS: 70240-60-7
• 化学式: C₃₀H₃₈O₂
• 分子量: 430.631
• InChiKey: JISGBWNGDIYTFT-XKFYHEJLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Preparation process of quinone derivative and intermediate for the preparation thereof
  申请人：EISAI CHEMICAL CO., LTD.

  公开号：EP0613877A1

  公开（公告）日：1994-09-07

  Disclosed herein is a process for the preparation of a quinone derivative represented by the following formula: wherein R¹ and R² are identical with or different from each other and mean individually a lower alkyl or lower alkoxy group, or may form an aromatic ring together, R³ denotes a lower alkyl group, n stands for 0 or an integer of 1-9, and a linkage --- is a single or double bond, such as a vitamin K derivative or coenzyme Q derivative, in high yields without forming any geometric isomer, wherein a Retro Diels-Alder reaction is employed, as well as a 1,4,4a,8a-tetrahydro-4aα-alkenyl-1α,4α-methanonaphthalene-5,8-dione derivative which is useful as an intermediate for the preparation of the quinone derivative.

  本文公开了一种制备下式所代表的醌衍生物的工艺： 其中R¹和R²彼此相同或不同，分别指低级烷基或低级烷氧基，或可共同形成芳香环，R³表示低级烷基，n代表0或1-9的整数，连接-----是单键或双键、在采用 Retro Diels-Alder 反应的情况下，可以高产率地制备维生素 K 衍生物或辅酶 Q 衍生物，而不会形成任何几何异构体；还可以制备 1,4,4a,8a-四氢-4aα-烯基-1α,4α-甲桥萘-5,8-二酮衍生物，该衍生物可用作制备醌衍生物的中间体。
• ISOPRENYL DERIVATIVES AND THEIR USE IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS AND CARDIOVASCULAR CALCIFICATION
  申请人：Vitak B.V.

  公开号：EP1414387A2

  公开（公告）日：2004-05-06
• US5476955A
  申请人：——

  公开号：US5476955A

  公开（公告）日：1995-12-19
• [EN] ISOPRENYL DERIVATIVES AND THEIR USE IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS AND CARDIOVASCULAR CALCIFICATION<br/>[FR] DERIVES D'ISOPRENYL ET LEUR UTILISATION POUR TRAITER ET PREVENIR L'OSTEOPOROSE ET LA CALCIFICATION CARDIO-VASCULAIRE
  申请人：VITAK BV

  公开号：WO2003013420A2

  公开（公告）日：2003-02-20

  A non-toxic biologically active compound is provided having the following general formula (I), wherein n is an integer from 1 to 14, preferably from 2 to 4, and R is an organic moiety, preferably a group different from but structurally substantially similar to 2-methyl naphthoquinone, or a group P-C(R1)-P, where each P stands for a -PO(OH)2 group and R1 is a (poly)isoprenyl group, hydroxy, halogen (preferably chloro or bromo), or hydrogen, or a pharmaceutically acceptable derivative thereof. These compounds are useful for the treatment or prevention of certain disorders in a mammal, especially a human being, for example postmenopausal loss of bone in women, juvenile or senile osteoporosis in men and women, cardiovascular calcification and other ectopic calcifications.