4-硫杂-1-氮杂二环[3.2.0]庚烷-2-羧酸,3-(羟甲基)-3-甲基-7-羰基-,[2S-(2α,3bta,5α)]-(9CI) | 794471-71-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-硫杂-1-氮杂二环[3.2.0]庚烷-2-羧酸,3-(羟甲基)-3-甲基-7-羰基-,[2S-(2α,3bta,5α)]-(9CI)
• 中文别名: (5-乙酰基-1-甲基-1H-吡咯-2-基)甲烷磺酸
• 英文名称: (5-Acetyl-1-methyl-1H-pyrrol-2-yl)methanesulfonic acid
• 英文别名: (5-acetyl-1-methylpyrrol-2-yl)methanesulfonic acid
• CAS: 794471-71-9
• 化学式: C₈H₁₁NO₄S
• 分子量: 217.24
• InChiKey: KWFNPUIEJWYFJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  84.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Sulfonic acids, their derivatives and pharmaceutical compositions containing them
  申请人：Allegretti Marcello

  公开号：US20060258730A1

  公开（公告）日：2006-11-16

  Selected sulfonic acids, their derivatives and pharmaceutical compositions containing such compounds are useful in inhibiting the chernotactic activation of neutrophils (PMN leukocytes) induced by the interaction of Interleukin-8 (IL-8) with CX-CR1 and CXCR2 membrane receptors. The compounds are used for the prevention and treatment of pathologies deriving from said activation. Notably, the selected sulfonic acids and their derivativas are devoid of cyclo-oxygenase inhibition activity and are particularly useful in the treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bullous pemphigoid, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of damages caused by ischemia and reperfusion.

  精选的磺酸、其衍生物和含有此类化合物的药物组合物可用于抑制白细胞介素-8（IL-8）与 CX-CR1 和 CXCR2 膜受体相互作用所诱导的中性粒细胞（PMN 白细胞）的诱导活化。这些化合物可用于预防和治疗上述活化引起的病症。值得注意的是，所选磺酸及其衍生物不具有环氧化酶抑制活性，特别适用于治疗中性粒细胞依赖性病症，如牛皮癣、溃疡性结肠炎、黑色素瘤、慢性阻塞性肺病（COPD）、牛皮癣、类风湿性关节炎、特发性纤维化、肾小球肾炎，以及预防和治疗缺血和再灌注引起的损伤。
• SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dompé S.P.A.

  公开号：EP1606248A2

  公开（公告）日：2005-12-21
• US7737139B2
  申请人：——

  公开号：US7737139B2

  公开（公告）日：2010-06-15
• [EN] SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] ACIDES SULFONIQUES, LEURS DERIVES ET COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES
  申请人：DOMPE SPA

  公开号：WO2004080951A2

  公开（公告）日：2004-09-23

  Selected sulfonic acids, their derivatives and pharmaceutical compositions containing such compounds are useful in inhibiting the chernotactic activation of neutrophils (PMN leukocytes) induced by the interaction of Interleukin-8 (IL-8) with CXCRI and CXCR2 membrane receptors. The compounds are used for the prevention and treatment of pathologies deriving from said activation. Notably, the selected sulfonic acids and their derivativas are devoid of cyclo-oxygenase inhibition activity and are particularly useful in the treatment of neutrofil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bullous pemphigoid, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of damages caused by ischemia and reperfusion.