7-[(1S,2S,3S,5R)-3-(4-bromophenyl)sulfonylamino-6,6-dimethylbicyclo [3.1.1]heptan-2-yl]-5Z-heptenoic acid | 160454-31-9

• 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: 7-[(1S,2S,3S,5R)-3-(4-bromophenyl)sulfonylamino-6,6-dimethylbicyclo [3.1.1]heptan-2-yl]-5Z-heptenoic acid
• 英文别名: (Z)-7-[(1S,2S,3S,5R)-3-[(4-bromophenyl)sulfonylamino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
• CAS: 160454-31-9
• 化学式: C₂₂H₃₀BrNO₄S
• 分子量: 484.454
• InChiKey: ODQGQXAIOBODCR-JAWYFFTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-[(1S,2S,3S,5R)-3-(4-bromophenyl)sulfonylamino-6,6-dimethylbicyclo [3.1.1]heptan-2-yl]-5Z-heptenoic acid methyl ester 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 7-[(1S,2S,3S,5R)-3-(4-bromophenyl)sulfonylamino-6,6-dimethylbicyclo [3.1.1]heptan-2-yl]-5Z-heptenoic acid
  参考文献：
  名称：

  Carbocyclic sulfonamides

  摘要：

  (1) 包含化合物(I)所代表的环状磺酰胺的前列腺素(PG)E.sub.2拮抗剂或激动剂，其化合物为：##STR1## 其环状糖囊复合物和非毒性盐为活性成分。(2) 包含化合物(II)所代表的环状磺酰胺的化合物，其化合物为：##STR2## 其环状糖囊复合物和非毒性盐为活性成分。(3) 描述了制备化合物(II)所代表的化合物的方法。(4) 包含化合物(II)所代表的化合物作为活性成分的PGE.sub.2拮抗剂或激动剂。化合物(I)和(II)所代表的化合物可以用于具有抑制子宫收缩、镇痛作用、抑制消化蠕动、诱导睡眠作用的药物，作为PGE.sub.2拮抗剂，也可以用于具有子宫收缩活性、促进消化蠕动、抑制胃酸分泌、降压作用的药物，作为PGE.sub.2激动剂，因为它们能够结合到PGE.sub.2受体并具有其作用的拮抗剂或激动剂活性。

  公开号：

  US05663417A1

文献信息

• Carbocyclic sulfonamides as agonists or antagonists of PGEZ
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0608847A1

  公开（公告）日：1994-08-03

  (1) Prostaglandin (PG) E₂ antagonist or agonist containing carbocyclic sulfonamides represented by the compound of the formula (I): cyclodextrin clathrates thereof, non-toxic salts thereof as active ingredient,    (2) carbocyclic sulfonamides represented by the compound of the formula (II): cyclodextrin clathrates thereof, non-toxic salts thereof,    (3) process for the preparation of the compound represented by the compound of the formula (II) described hereinbefore,    (4) PGE₂ antagonist or agonist containing the compound represented by the compound of the formula (II) as active ingredient. The compounds represented by the compounds of the formula (I) and (II) can be adapted to medicines which possess an inhibitory effect of uterine contraction, an analgetic action, an inhibitory effect of digestive peristalsis, a sleep-inducing effect as PGE₂ antagonists, and an uterine contractile activity, a promaoting effect of digestive peristalsis, a suppressive effect of gastric acid secretion, a hypotensive activity as PGE₂ agonists, because they bind onto PGE₂ receptor and have an activity of antagonist or agonist against the action thereof.

  (1) 以式(I)化合物为代表的前列腺素(PG)E₂拮抗剂或激动剂： 以其环糊精凝块、无毒盐类为活性成分、 (2) 以式（II）化合物为代表的碳环磺胺类化合物： 其环糊精凝块、其无毒盐、 (3) 前述以式(II)化合物为代表的化合物的制备工艺、 (4) 以式(II)化合物为有效成分的 PGE₂拮抗剂或激动剂。 以式（I）和（II）化合物为代表的化合物可作为 PGE ₂拮抗剂适用于具有子宫收缩抑制作用、镇痛作用、消化道蠕动抑制作用、睡眠诱导作用和子宫收缩活性的药物、以及作为 PGE ₂激动剂的子宫收缩活性、促进消化道蠕动的作用、抑制胃酸分泌的作用、降血压活性，因为它们与 PGE ₂受体结合，并对其作用具有拮抗剂或激动剂的活性。
• US5663417A
  申请人：——

  公开号：US5663417A

  公开（公告）日：1997-09-02
• US6046236A
  申请人：——

  公开号：US6046236A

  公开（公告）日：2000-04-04
• Carbocyclic sulfonamides
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US05663417A1

  公开（公告）日：1997-09-02

  (1) Prostaglandin (PG) E.sub.2 antagonist or agonist containing carbocyclic sulfonamides represented by the compound of the formula (I): ##STR1## cyclodextrin clathrates thereof, non-toxic salts thereof as active ingredient, (2) carbocyclic sulfonamides represented by the compound of the formula (II): ##STR2## cyclodextrin clathrates thereof, non-toxic salts thereof, (3) process for the preparation of the compound represented by the compound of the formula (II) described hereinbefore, (4) PGE.sub.2 antagonist or agonist containing the compound represented by the compound of the formula (II) as active ingredient. The compounds represented by the compounds of the formula (I) and (II) can be adapted to medicines which possess an inhibitory effect of uterine contraction, an analgetic action, an inhibitory effect of digestive peristalsis, a sleep-inducing effect as PGE.sub.2 antagonists, and an uterine contractile activity, a promoting effect of digestive peristalsis, a suppressive effect of gastric acid secretion, a hypotensive activity as PGE.sub.2 agonists, because they bind onto PGE.sub.2 receptor and have an activity of antagonist or agonist against the action thereof.

  (1) 包含化合物(I)所代表的环状磺酰胺的前列腺素(PG)E.sub.2拮抗剂或激动剂，其化合物为：##STR1## 其环状糖囊复合物和非毒性盐为活性成分。(2) 包含化合物(II)所代表的环状磺酰胺的化合物，其化合物为：##STR2## 其环状糖囊复合物和非毒性盐为活性成分。(3) 描述了制备化合物(II)所代表的化合物的方法。(4) 包含化合物(II)所代表的化合物作为活性成分的PGE.sub.2拮抗剂或激动剂。化合物(I)和(II)所代表的化合物可以用于具有抑制子宫收缩、镇痛作用、抑制消化蠕动、诱导睡眠作用的药物，作为PGE.sub.2拮抗剂，也可以用于具有子宫收缩活性、促进消化蠕动、抑制胃酸分泌、降压作用的药物，作为PGE.sub.2激动剂，因为它们能够结合到PGE.sub.2受体并具有其作用的拮抗剂或激动剂活性。