(-)-(Z)-7-<(1S,2S,3S,5R)-3-benzenesulfonylamino-6,6-dimethylbicyclo<3.1.1>hept-2-yl>hept-5-enoic acid | 112917-69-8

• 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: (-)-(Z)-7-<(1S,2S,3S,5R)-3-benzenesulfonylamino-6,6-dimethylbicyclo<3.1.1>hept-2-yl>hept-5-enoic acid
• 英文别名: 5(Z)-7-[(1S,2S,3S,5R)-3-phenylsulfonylamino-6,6-dimethyl-bicyclo [3.1.1]hept-2-yl]-5-heptenoic acid；7-[(1S,2S,3S,5R)-3-benzenesulfonylamino-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]-5Z-heptenoic acid；(Z)-7-[(1S,2S,3S,5R)-3-(benzenesulfonamido)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
• CAS: 112917-69-8
• 化学式: C₂₂H₃₁NO₄S
• 分子量: 405.558
• InChiKey: JICKTVCNZLACSE-AEYPFITQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 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

• 作为反应物：
  描述：

  (-)-(Z)-7-<(1S,2S,3S,5R)-3-benzenesulfonylamino-6,6-dimethylbicyclo<3.1.1>hept-2-yl>hept-5-enoic acid 生成 (E)-7-<(1S,2S,3S,5R)-benzenesulfonylamino-6,6-dimethylbicyclo<3.1.1>hept-2-yl>hept-5-enoic acid
  参考文献：
  名称：

  NARISADA, MASAYUKI;OTANI, MITSUAKI;VATANABEH, FUMIXIKO;XAGISITA, SANDZI;S+

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl (Z)-7-[(1S,2S,3S,5R)-3-(benzenesulfonamido)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoate 生成 (-)-(Z)-7-<(1S,2S,3S,5R)-3-benzenesulfonylamino-6,6-dimethylbicyclo<3.1.1>hept-2-yl>hept-5-enoic acid
  参考文献：
  名称：

  NARISADA, MASAYUKI;OTANI, MITSUAKI;VATANABEH, FUMIXIKO;XAGISITA, SANDZI;S+

  摘要：

  DOI：

文献信息

• Thromboxane A2 receptor antagonists. II. Synthesis and pharmacological activity of 6,6-dimethylbicyclo(3.1.1)heptane derivatives with the benzenesulfonylamino group.
  作者：Kaoru SENO、Sanji HAGISHITA

  DOI：10.1248/cpb.37.948

  日期：——

  Various stereoisomers based on the alpha- and omega-side chain ring junctions of 6,6-dimethylbicyclo[3.1.1]heptane were synthesized. Their sodium salts 12, 18, 20, 30 and 37 were examined in vitro for their inhibitory activity toward aggregation of rabbit platelet-rich plasma and rat washed platelets. Their potency was very high and the partial agonist effect was small. The differences of the side

  基于6，6-二甲基双环[3.1.1]庚烷的α-侧和ω-侧链环连接，合成了各种立体异构体。在体外检查了它们的钠盐12、18、20、30和37对富含兔血小板的血浆和大鼠洗涤的血小板聚集的抑制活性。它们的效力很高，部分激动剂作用很小。侧链环结的差异对活性没有太大影响。欧米茄侧链的同源性降低（如47）。
• 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。
• SULFONAMIDE DERIVATIVES AND REMEDIES FOR ALLODYNIA
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1201238A1

  公开（公告）日：2002-05-02

  An agent for the treatment and/or prevention of allodynia comprising a sulfonamide derivative of formula (W), an ester thereof, a non-toxic salt thereof and a cyclodextrin clathrate thereof as an acrive ingredient and a novel sulfonamide derivative. The compound of formula (W) is useful for the treatment and/or prevention of allodynia caused by peripheral nerve injury (e.g. causalgia, sympathetic reflex dystrophy), central nerve injury (e.g., phantom limb pain, post-zoster neuralgia (post-herpetic pain), thalamic pain, pain after spinal cord injury), and diabetic neuropathy or nerve invasive cancer.

  一种用于治疗和/或预防异动症的制剂，包括一种式 (W) 的磺酰胺衍生物、其酯类、其无毒盐类和其环糊精凝集物作为活性成分，以及一种新型磺酰胺衍生物。 式（W）化合物可用于治疗和/或预防由外周神经损伤（如因痛症、交感神经反射性萎缩症）、中枢神经损伤（如幻肢痛、带状疱疹后神经痛（疱疹后疼痛）、丘脑痛、脊髓损伤后疼痛）和糖尿病神经病变或神经侵袭性癌症引起的异感症。
• Bicyclic sulfonamide derivatives
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0226346B1

  公开（公告）日：1991-08-14
• SENO, KAORU;HAGISHITA, SANJI, CHEM. AND PHARM. BULL., 37,(1989) N, C. 948-954
  作者：SENO, KAORU、HAGISHITA, SANJI

  DOI：——

  日期：——