(2E,13E)-(11α,15S,17S)-6,9-dioxo-11,15-bis(tetrahydropyran-2-yloxy)-17,20-dimethylprosta-2,13-dienoic acid | 101849-89-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2E,13E)-(11α,15S,17S)-6,9-dioxo-11,15-bis(tetrahydropyran-2-yloxy)-17,20-dimethylprosta-2,13-dienoic acid
• 英文别名: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-3-(oxan-2-yloxy)-5-oxocyclopentyl]-6-oxohept-2-enoic acid
• CAS: 101849-89-2
• 化学式: C₃₂H₅₀O₈
• 分子量: 562.744
• InChiKey: GLEPPVJPUCNYEC-OLVWNFGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Intermediates for the preparation of prostaglandin analogues
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0156611A2

  公开（公告）日：1985-10-02

  The present invention relates to intermediates of the general formula: (wherein Y and Z, which may be the same or different, each represents a trans-vinylene group or an ethylene group, R2 represents a hydrogen atom or a methyl or ethyl group, R3 represents a single bond or an alkylene group of 1 to 5 carbon atoms, R' represents an alkyl group of 1 to 8 carbon atoms, a cycloalkyl group of 4 to 7 carbon atoms unsubstituted or substituted by at least one alkyl group of 1 to 8 carbon atoms or a phenyl or phenoxy group unsubstituted or substituted by at least one halogen atom, trifluoromethyl group of alkyl group of 1 to 4 carbon atoms, R5 represents a hydroxy- protecting group which can be removed in acidic conditions and W1 represents a group of the formula : -COOR1, -CON(R6)2, -CH2OR5 or -CH(OR7)CH2OR5 (in which R' represents a hydrogen atom or an alkyl group of 1 to 12 carbon atoms, the groups R6, which may be the same or different, each represents an alkyl group of 1 to 4 carbon atoms, a phenyl group or an aralkyl group of 7 to 12 carbon atoms or R7 represents an acyl group of 2 to 12 carbon atoms and R5 is as hereinbefore defined) with the proviso that, when R3 represents a single bond, R4 does not represent a substituted or unsubstituted phenoxy group, which are useful in the preparation of 6-keto-prostaglandin derivatives.

  本发明涉及通式如下的中间体： (其中 Y 和 Z 可以相同或不同，各自代表反式乙烯基或乙烯基，R2 代表氢原子或甲基或乙基，R3 代表单键或 1 至 5 个碳原子的亚烷基，R'代表 1 至 8 个碳原子的烷基、R5 代表可在酸性条件下去除的羟基保护基团，W1 代表式中的一个基团：-COOR1、-CON(R6)2、-CH2OR5 或 -CH(OR7)CH2OR5（其中 R'代表氢原子或 1 至 12 个碳原子的烷基，基团 R6 可以相同或不同，各代表 1 至 4 个碳原子的烷基、或 R7 代表 2 至 12 个碳原子的酰基，R5 如前定义），但当 R3 代表单键时，R4 不代表取代或未取代的苯氧基，这些苯氧基可用于制备 6-酮-前列腺素衍生物。
• US4622410A
  申请人：——

  公开号：US4622410A

  公开（公告）日：1986-11-11