2,3-二氢-1H-8-硫代-5,7-二氮杂环戊并[a]茚-4-硫醇 | 306281-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: 2,3-二氢-1H-8-硫代-5,7-二氮杂环戊并[a]茚-4-硫醇
• 中文别名: 6,7-二氢-5H-环戊烷-4,5-噻吩并[2,3-D]吡啶-4-硫醇
• 英文名称: 2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]indene-4-thiol
• 英文别名: 7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-12-thione
• CAS: 306281-11-8
• 化学式: C₉H₈N₂S₂
• mdl: MFCD03655038
• 分子量: 208.3
• InChiKey: UZIFVIYMKOHMQD-UHFFFAOYSA-N

物化性质

• 熔点：
  251-254℃
• 沸点：
  401.3±55.0 °C(Predicted)
• 密度：
  1.67±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  84.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

文献信息

• USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER
  申请人：Arexis AB

  公开号：EP1631295A2

  公开（公告）日：2006-03-08
• Use of heterocyclic compounds as scce inhibitors
  申请人：Linschoten Marcel

  公开号：US20060258651A1

  公开（公告）日：2006-11-16

  The present invention relates to heterocyclic inhibitors of stratum corneum chymotryptic enzyme (SCCE). More particularly, the invention relates to the use of compounds with the formula (I) or (II) for treatment of certain diseases, in particular skin diseases such as pruirtus, as well as cancer such as ovarian cancer.
• US7872052B2
  申请人：——

  公开号：US7872052B2

  公开（公告）日：2011-01-18
• [EN] USE OF HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS<br/>[FR] UTILISATION DE COMPOSES HETEROCYCLIQUES EN TANT QU'INHIBITEURS DE SCCE
  申请人：AREXIS AB

  公开号：WO2004108139A2

  公开（公告）日：2004-12-16

  The present invention relates to heterocyclic inhibitors of stratum corneum chymotryptic enzyme (SCCE). More particularly, the invention relates to the use of compounds with the formula (I) or (II) for treatment of certain diseases, in particular skin diseases such as pruirtus, as well as cancer such as ovarian cancer.