锌,碘(6-甲氧基-6-羰基-4-己烯基)-,(E)- | 131392-87-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 锌,碘(6-甲氧基-6-羰基-4-己烯基)-,(E)-
• 英文名称: (4E)-5-carbomethoxypent-4-enylzinc(II) iodide
• CAS: 131392-87-5
• 化学式: C₇H₁₁IO₂Zn
• 分子量: 319.458
• InChiKey: TZZNIOLYJLQQGH-TXOOBNKBSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  11.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  锌,碘(6-甲氧基-6-羰基-4-己烯基)-,(E)- 在 CuCl*2LiCl 、 氢气 作用下， 生成 methyl (E)-7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]hept-2-enoate
  参考文献：
  名称：

  A highly practical synthesis of natural PGE1, Δ2-trans-PGE1 and 2,2,3,3-tetradehydro-PGE1 via two-component coupling process using zinc-copper reagents

  摘要：

  DOI：

  10.1016/s0040-4039(00)97654-8

文献信息

• PROSTAGLANDIN E1 ANALOGUE
  申请人：TAISHO PHARMACEUTICAL CO. LTD

  公开号：EP0597095A1

  公开（公告）日：1994-05-18

  Object: to provide a novel prostaglandin E₁ which is excellent in drug efficacy while reduced in adverse reactions as compared with conventional ones. Constitution: a PGE₁ analogue represented by general formula (I) and its salt, wherein A represents vinylene or ethynylene; R¹ represents hydrogen, C₁ to C₆ alkyl or aryl; and R² represents C₅ to C₁₀ branched aliphatic hydrocarbyl.

  目的：提供一种新型的前列腺素 E₁，与传统的前列腺素 E₁相比，它具有极佳的药效，同时减少了不良反应。组成：通式（I）代表的 PGE₁ 类似物及其盐，其中 A 代表乙烯基或乙炔基；R¹ 代表氢、C₁ 至 C₆ 烷基或芳基；R² 代表 C₅ 至 C₁₀ 支链脂族烃基。
• PROSTAGLANDIN E ANALOGUES
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1211241A1

  公开（公告）日：2002-06-05

  A prostaglandin analog represented by Formula (I): [wherein A is an ethylene group, a vinylene group or an ethynylene group, Y1 and Y2 are the same or different, and each a hydrogen atom, a halogen atom, a cyano group, -CONR3R4 (wherein R3 and R4 are the same or different, and each a hydrogen atom or a C1-6 alkyl group, or R3 and R4 together with the nitrogen atom to which they are attached form a C4-8 cyclic amine), a C1-3 aminoalkyl group, a C1-6 hydroxyalkyl group, NR5R6 (wherein R5 and R6 are the same or different, and each a hydrogen atom or a C1-6 alkyl group), a hydroxyl group, a C1-6 alkoxy group, a C1-9 alkyl group, a C1-6 alkyl group substituted with halogen(s), a C1-5 acyl group or COOR7 (wherein R7 is a hydrogen atom, a C1-6 alkyl group or a phenyl group), R1 and R2 are the same or different, and each a hydrogen atom, a halogen atom, a C1-9 alkyl group or a C1-6 alkyl group substituted with halogen(s), m is an integer of 0 to 6, and n is an integer of 0 to 3], a pharmaceutically acceptable salt thereof or a hydrate thereof.

  一种由式(I)表示的前列腺素类似物： [其中 A 为乙烯基、乙烯基或乙炔基，Y1 和 Y2 相同或不同，且各为氢原子、卤素原子、氰基、-CONR3R4（其中 R3 和 R4 相同或不同，且各为氢原子或 C1-6 烷基、C1-3氨基烷基、C1-6羟基烷基、NR5R6（其中 R5 和 R6 相同或不同，且各自为氢原子或 C1-6 烷基）、羟基、C1-6 烷氧基、C1-9 烷基、被卤素取代的 C1-6 烷基、C1-5 丙烯酸基或 COOR7（其中 R7 为氢原子、C1-6 烷基或苯基），R1 和 R2 相同或不同，且各自为氢原子、卤素原子、C1-9 烷基或被卤素取代的 C1-6 烷基，m 为 0 至 6 的整数，n 为 0 至 3 的整数]，其药学上可接受的盐或其水合物。
• PROSTAGLANDIN DERIVATIVES
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1219601A1

  公开（公告）日：2002-07-03

  A prostaglandin derivative represented by the formula: [wherein X is CH2, O or S(O)q1, Y is an ethylene group, a vinylene group, an ethynylene group, O(CH2)tl or S(O)q2(CH2)tl, Z is an ethylene group, a vinylene group or an ethynylene group, R1 is a hydrogen atom, a C1-10 alkyl group or a C3-10 cycloalkyl group, R2 is a C1-10 alkyl group, a C2-10 alkenyl group, a C2-10 alkynyl group, a C3-10 cycloalkyl group, a C1-5 alkyl-C3-10 cycloalkyl group, a C3-10 cycloalkyl-C1-5 alkyl group, a hydroxy-C1-5 alkyl group, a halogeno-C1-5 alkyl group, a C1-5 alkoxy-C1-5 alkyl group, a C2-4 alkoxycarbonyl-C1-5 alkyl group, a carboxyl-C1-5 alkyl group, a cyano-C1-5 alkyl group, a C1-5 alkyl group substituted with a group represented by the formula: -NR7R8, an acyl group, a group represented by the formula: -(CH2)t2CH(NH2)COOR9, etc., and R3 is a hydrogen atom, a C1-10 alkyl group, etc.], a pharmaceutically acceptable salt thereof or a hydrate thereof. Novel prostaglandin derivatives of the present invention have an excellent action in inhibiting the growth of vascular smooth muscle, and are useful as drugs for prevention or treatment of the restenosis after PTCA, etc.

  一种由式表示的前列腺素衍生物： [其中 X 是 CH2、O 或 S(O)q1，Y 是乙烯基、乙烯基、乙炔基、O( )tl 或 S(O)q2( )tl，Z 是乙烯基、乙烯基或乙炔基，R1 是氢原子、C1-10 烷基或 C3-10 环烷基，R2 是 C1-10 烷基、C2-10 烯基、C2-10 炔基C3-10环烷基、C1-5烷基-C3-10环烷基、C3-10环烷基-C1-5烷基、羟基-C1-5烷基、卤素-C1-5烷基、C1-5烷氧基-C1-5烷基、C2-4烷氧基羰基-C1-5烷基、羧基-C1-5烷基、氰基-C1-5烷基、被式中代表的基团取代的C1-5烷基：-NR7R8、酰基、由式表示的基团：-( )t2CH(NH2)COOR9等，且R3为氢原子、C1-10烷基等]、其药学上可接受的盐或其水合物。 本发明的新型前列腺素衍生物在抑制血管平滑肌生长方面具有良好的作用，可作为预防或治疗 PTCA 等手术后血管再狭窄的药物。
• WO2006/137472
  申请人：——

  公开号：——

  公开（公告）日：——
• TSUJIYAMA, HIROMI;ONO, NAOYA;YOSHINO, TOSHIHARU;OKAMOTO, SENTARO, TETRAHEDRON LETT., 31,(1990) N1, C. 4481-4484
  作者：TSUJIYAMA, HIROMI、ONO, NAOYA、YOSHINO, TOSHIHARU、OKAMOTO, SENTARO

  DOI：——

  日期：——