6-(2-methyl-5-nitro-1H-imidazol-4-ylsulfanyl)-7(9)H-purine | 4604-85-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-(2-methyl-5-nitro-1H-imidazol-4-ylsulfanyl)-7(9)H-purine
• 英文别名: 1H-Purine, 6-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-；6-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-7H-purine
• CAS: 4604-85-7
• 化学式: C₉H₇N₇O₂S
• 分子量: 277.266
• InChiKey: RIUYBKDQNBLHND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] 5-ASA DERIVATIVES HAVING ANTI-INFLAMMATORY AND ANTIBIOTIC ACTIVITY AND METHODS OF TREATING DISEASES THEREWITH<br/>[FR] DERIVES 5-ASA AYANT UNE ACTIVITE ANTI-INFLAMMATOIRE ET ANTIBIOTIQUE, PROCEDES DE TRAITEMENT DE MALADIES A L'AIDE DE CES DERNIERS
  申请人：NOBEX CORP

  公开号：WO2002018330A1

  公开（公告）日：2002-03-07

  Compounds are disclosed represented by the following formula (I): where R1 is a substituted or unsubstituted phenyl group, and where Z is selected such that a compound, Z-R1-NH2, formed by cleavage of the azo bond is a non-absorbable antibiotic; or an ester or pharmacologically acceptable salt of the compound of formula (I). Compounds of the present invention may be utilized for the prophylaxis or treatment of various diseases including, but not limited to, intestinal diseases such as inflammatory bowel disease and/or traveler's diarrhea, liver diseases such as hepatic encephalopathy, and/or diseases treatable by a non-absorbable antibiotic.

  本发明披露了以下式(I)所代表的化合物：其中R1为取代或未取代的苯基，Z被选择为使通过偶氮键断裂形成的化合物Z-R1-NH2为一种不可吸收的抗生素; 或者是公式(I)化合物的酯或药理学上可接受的盐。本发明的化合物可用于预防或治疗各种疾病，包括但不限于肠道疾病，如炎症性肠病和/或旅行者腹泻，肝脏疾病，如肝性脑病，以及可用非吸收性抗生素治疗的疾病。
• METHOD OF DETERMINING THIOPURINE METHYLTRANSFERASE ACTIVITY
  申请人：Prometheus Laboratories, Inc.

  公开号：EP1285085A2

  公开（公告）日：2003-02-26
• EP1285085A4
  申请人：——

  公开号：EP1285085A4

  公开（公告）日：2004-11-24
• IMMUNOREGULATORY COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE
  申请人：Nobex Corporation

  公开号：EP1313697A2

  公开（公告）日：2003-05-28
• 5-ASA DERIVATIVES HAVING ANTI-INFLAMMATORY AND ANTIBIOTIC ACTIVITY AND METHODS OF TREATING DISEASES THEREWITH
  申请人：Nobex Corporation

  公开号：EP1313699A1

  公开（公告）日：2003-05-28