1-Chloropyrrolidine-2,5-dione;methylsulfanylbenzene | 82661-92-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-Chloropyrrolidine-2,5-dione;methylsulfanylbenzene
• CAS: 82661-92-5
• 化学式: C11H12ClNO2S
• 分子量: 257.74
• InChiKey: QDOMKUJILDCPEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Prostaglandin analogues
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0068871A2

  公开（公告）日：1983-01-05

  Prostaglandin E1 analogues of general formula: [wherein R1 represents a bond or a straight- or branched-chain alkylene group containing from 1 to 5 carbon atom(s), and R2 represents a hydrogen atom, a straight- or branched-chain alkyl group containing from 1 to 8 carbon atom(s), a cycloalkyl group containing from 4 to 7 carbon atoms in the ring and unsubstituted or substituted by at least one straight- or branched-chain alkyl group containing from 1 to 8 carbon atomes) or a phenyl or phenoxy group unsubstituted or substituted by at least one halogen atom, trifluoromethyl group or straight- or branched-chain alkyl group containing from 1 to 4 carbon atom(s), with the proviso that, when R1 represents a bond, R2 does not represent a phenoxy group, possess inhibitory activity on gastric ulceration and cytoprotective activity.

  通式如下的前列腺素 E1 类似物： [其中 R1 代表键或含有 1 至 5 个碳原子的直链或支链亚烷基，R2 代表氢原子、含有 1 至 8 个碳原子的直链或支链烷基、环中含有 4 至 7 个碳原子且未被取代或被至少一个含有 1 至 8 个碳原子的直链或支链烷基取代的环烷基或未被取代或被至少一个卤素原子取代的苯基或苯氧基、三氟甲基或含有 1 至 4 个碳原子的直链或支链烷基，但 R1 代表键时，R2 不代表苯氧基，具有胃溃疡抑制活性和细胞保护活性。
• Prostaglandin D derivatives, process for their preparation and compositions containing them
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0097023A2

  公开（公告）日：1983-12-28

  Prostaglandin D derivatives of the formula: wherein R1 is hydrogen or alkyl, R2 is a group of the formula: or wherein R3 is alkyl, R4 is hydrogen or alkyl, R5 is alkyl R6 is a single bond or alkylene, R7 is cycloalkyl, X is ethylene or cis-vinylene, the double bond between C9-C10 is Z, and the double bond between C13-C14 is E, or of the formula: wherein R1, R6 and X are as hereinbefore defined, R8 is alkyl, cycloalkyl, phenyl or phenoxy, the double bonds between C12-C13 and between C14-C15 are E, Z or a mixture thereof, and the double bond between C9-C10 is Z, provided that when R6 represents a single bond, R8 does not represent a substituted or unsubstituted phenoxy group, and cyclodextrin clathrates and non-toxic salts thereof, possess anti-tumour activity.

  式中的前列腺素 D 衍生物： 其中 R1 是氢或烷基，R2 是式中的基团： 或 其中 R3 是烷基，R4 是氢或烷基，R5 是烷基，R6 是单键或亚烷基，R7 是环烷基，X 是乙烯或顺式乙烯，C9-C10 之间的双键是 Z，C13-C14 之间的双键是 E，或 式中： R1、R6 和 X 如前定义，R7 是环烷基，X 是乙烯或顺式乙烯，C9-C10 之间的双键是 Z，C13-C14 之间的双键是 E： 其中 R1、R6 和 X 如前定义，R8 为烷基、环烷基、苯基或苯氧基，C12-C13 之间和 C14-C15 之间的双键为 E、Z 或其混合物，C9-C10 之间的双键为 Z，条件是当 R6 代表单键时，R8 不代表取代或未取代的苯氧基，环糊精凝块及其无毒盐具有抗肿瘤活性。
• Trans-Delta 2-prostaglandin D derivatives, process for their preparation and compositions containing them
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0099672A2

  公开（公告）日：1984-02-01

  Trans-Δ2-prostaglandin D derivatives of the formula: wherein [A] is a group of the formula: X is ethylene or cis-vinylene, C13-C14-C15 is: (i) a group of the formula: when [A] is a group of the formula (II) or (III), or (ii) a group of the formula: when [A] is a group of the formula (IV), R is hydrogen or alkyl, R1 is a single bond or alkylene, R2 is alkyl, cycloalkyl, phenyl or phenoxy, the double bonds between C2 - C3 and between C13- C14 are both E, the double bond between C9-C10 is Z and the double bonds between C12 - C13 and between C14 - C,5 are E, Z or a mixture thereof, provided that when R1 is a single bond, R does not represent a substituted or unsubstituted phenoxy group, and cyclodextrin clathrates and non-toxic salts thereof, possess anti-tumour activity.

  式中的反式-Δ2-前列腺素 D 衍生物： 其中[A]是式中的基团： X为乙烯或顺式乙烯，C13-C14-C15为： (i) 式中的基团 当[A]是式(II)或(III)的基团时，或 (ii) 式中的基团： 当 [A] 是式 (IV) 的基团时，R 是氢或烷基，R1 是单键或亚烷基，R2 是烷基、环烷基、苯基或苯氧基，C2 - C3 之间和 C13 - C14 之间的双键都是 E，C9 - C10 之间的双键是 Z，C12 - C13 之间和 C14 - C. 5 之间的双键是 E、Z 或它们的混合物、5 之间的双键是 E、Z 或它们的混合物，条件是当 R1 是单键时，R 不代表取代或未取代的苯氧基，环糊精凝块及其无毒盐具有抗肿瘤活性。
• Prostaglandin E1 analogues
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0100630A2

  公开（公告）日：1984-02-15

  Prostaglandin E1 analogues of the general formula: (wherein R1 represents a single bond or a straight- or branched-chain alkylene group of from 1 to 5 carbon atom(s), R2 represents a cycloalkyl group of from 4 to 7 carbon atoms either unsubstituted or substituted by at least one straight- or branched-chain alkyl group of from 1 to 8 carbon(s), and the double bond between C13 and C14 is trans) and cyclodextrin clathrate thereof, are useful in the prevention or treatment of cytodamage associated with digestive system disease, especially liver damage.

  通式如下的前列腺素 E1 类似物 (其中 R1 代表单键或 1 至 5 个碳原子的直链或支链亚烷基，R2 代表未取代或被至少一个 1 至 8 个碳原子的直链或支链烷基取代的 4 至 7 个碳原子的环烷基，且 C13 和 C14 之间的双键为反式）及其环糊精包合物，可用于预防或治疗与消化系统疾病，尤其是肝损伤相关的细胞损伤。
• 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。