4,6-dichloro-7-methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester | 56030-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,6-dichloro-7-methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester
• 英文别名: Methyl 4,6-dichloro-7-methoxy-1-benzothiophene-2-carboxylate
• CAS: 56030-18-3
• 化学式: C₁₁H₈Cl₂O₃S
• 分子量: 291.155
• InChiKey: BKGHKXMRRJSGOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES
  申请人：Juo Rouh-Rong

  公开号：US20120100566A1

  公开（公告）日：2012-04-26

  Chemiluminescent compositions, methods, assays and kits for oxidative enzymes are described. Further disclosed are dioxetane compounds of the form: 0-0 ΛR R R T (i) where R can independently be any branched alkyl or cycloalkyl group which provides stabilization for the dioxetane or where both R groups together form a cycloalkyl or polycycloalkyl moiety spiro bound to the dioxetane ring, wherein each R group or the spiro bound moiety can be unsubstituted or substituted with one or more electron-withdrawing groups or electron donating groups, or groups providing preferential oxidative isozyme substrate recognition, and wherein Ri is an aryl group, or an alkyl group of 1-20 carbon atoms, which can be optionally substituted with 1 or more halogen atoms, and wherein T is an aryl or heteroaryl ring capable of emitting light upon enzyme activated decomposition of the dioxetane I. Kits, methods and assays are also disclosed that comprise the dioxetane compounds.
• US9518285B2
  申请人：——

  公开号：US9518285B2

  公开（公告）日：2016-12-13
• US9856508B2
  申请人：——

  公开号：US9856508B2

  公开（公告）日：2018-01-02
• [EN] CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES<br/>[FR] COMPOSITIONS CHIMIOLUMINESCENTES, PROCÉDÉS, DOSAGES ET KITS POUR ENZYMES OXYDATIVES
  申请人：LIFE TECHNOLOGIES CORP

  公开号：WO2010101839A2

  公开（公告）日：2010-09-10

  Chemiluminescent compositions, methods, assays and kits for oxidative enzymes are described. Further disclosed are dioxetane compounds of the form: 0-0 ΛR R R T (i) where R can independently be any branched alkyl or cycloalkyl group which provides stabilization for the dioxetane or where both R groups together form a cycloalkyl or polycycloalkyl moiety spiro bound to the dioxetane ring, wherein each R group or the spiro bound moiety can be unsubstituted or substituted with one or more electron- withdrawing groups or or electron donating groups, or groups providing preferential oxidative isozyme substrate recognition, and wherein Ri is an aryl group, or an alkyl group of 1-20 carbon atoms, which can be optionally substituted with 1 or more halogen atoms, and wherein T is an aryl or heteroaryl ring capable of emitting light upon enzyme activated decomposition of the dioxetane I. Kits, methods and assays are also disclosed that comprise the dioxetane compounds.