6-Methylmercapto-7,8,9,10-tetrahydro-phenanthridin | 4562-67-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-Methylmercapto-7,8,9,10-tetrahydro-phenanthridin
• 英文别名: 6-methylsulfanyl-7,8,9,10-tetrahydro-phenanthridine；6-Methylsulfanyl-7,8,9,10-tetrahydrophenanthridine
• CAS: 4562-67-8
• 化学式: C₁₄H₁₅NS
• 分子量: 229.346
• InChiKey: VALDROOJTKHGDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• THIOALKYL COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY
  申请人：——

  公开号：US20020028813A1

  公开（公告）日：2002-03-07

  A compound of formula I: 1 or a pharmaceutically acceptable salt, hydrate, ester, solvate, prodrug, metabolite, stereoisomer, or mixtures thereof, wherein: R 1 is lower alkyl, lower alkenyl or lower alkynyl; R 9 , when present, is hydrogen or lower alkyl; Y represents the atoms necessary to form a fused 5- to 6-membered ring that is aromatic or nonaromatic and carbocyclic or heterocyclic; Z is (i) —CHR 2 CHR 3 — where R 2 and R 3 are independently hydrogen, alkyl, aryl or aralkyl; (ii) —R 6 C═CR 3 — where R 6 and R 3 are independently hydrogen, lower alkyl, aryl, aralkyl, chlorine, bromine or —NR 7 R 8 , where R 7 and R 8 are independently hydrogen or lower alkyl, or, R 6 and R 3 , taken together, form a fused 5- to 6-membered ring that is aromatic or nonaromatic and carbocyclic or heterocyclic; (iii) —R 2 C═N—; (iv) —CR 2 (OH)—NR 7 —; or (v) —C(O)—NR 7 .