4-[5-(4-Methoxycarbonyl-butyrylamino)-9,10-dioxo-9,10-dihydro-phenanthren-2-ylcarbamoyl]-butyric Acid Methyl Ester | 345631-28-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-[5-(4-Methoxycarbonyl-butyrylamino)-9,10-dioxo-9,10-dihydro-phenanthren-2-ylcarbamoyl]-butyric Acid Methyl Ester
• 英文别名: Methyl 5-[[5-[(5-methoxy-5-oxopentanoyl)amino]-9,10-dioxophenanthren-2-yl]amino]-5-oxopentanoate
• CAS: 345631-28-9
• 化学式: C₂₆H₂₆N₂O₈
• 分子量: 494.501
• InChiKey: PRRSRAHQDOXEFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Cd45 inhibitors
  申请人：——

  公开号：US20030207812A1

  公开（公告）日：2003-11-06

  Substituted phenanthrene-9,10-diones in accord with structural diagram I, 1 compositions thereof and methods for the use thereof, for the treatment of T cell mediated conditions such as autoimmune diseases and organ graft rejection. In compounds of the invention, R 1 at each occurrence is independently selected from hydrogen, halogen, NH-tosyl, N-di-tosyl, NH 2 , NO 2 , NH—CO—R 2 , CO—NH—R 2 , Ar, (CH 2 ) n CH(COOH)R 3 COR 3 and NHCOCH 2 CH(COOH)NHR 4 , where R 2 , R 3 and R 4 are a selected from a variety of substituted or unsubstituted alkyl and aryl groupstand oligopeptides.

  根据结构图I，以及其中的苯并蒽-9,10-二酮，其组成物和使用方法，用于治疗T细胞介导的情况，如自身免疫疾病和器官移植排斥。在本发明的化合物中，每个出现的R1独立地选自氢、卤素、NH-对甲苯磺酰基、N-二对甲苯磺酰基、NH2、NO2、NH-CO-R2、CO-NH-R2、Ar、(CH2)nCH(COOH)R3COR3和NHCO CH(COOH)NHR4，其中R2、R3和R4选自各种取代或未取代的烷基和芳基以及寡肽。
• CD45 INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1242363A2

  公开（公告）日：2002-09-25
• [EN] CD45 INHIBITORS<br/>[FR] INHIBITEURS DE CD45
  申请人：ASTRAZENECA AB

  公开号：WO2001046125A2

  公开（公告）日：2001-06-28

  Substituted phenantheren-9, 10-diones in accord with structural diagram (I), compositions thereof and methods for the use thereof, for the treatment of T cell mediated conditions such as autoimmune diseases and organ graft rejection. In compounds of the invention, R1 at each occurrence is independently selected from hydrogen, halogen, NH-tosyl, N-di-tosyl, NH¿2?, NO2, NH-CO-R?2¿, CO-NH-R2, Ar, (CH¿2?)nCH(COOH)R?3 COR3¿ and NHCOCH¿2?CH(COOH)NHR?4¿, where R?2, R3 and R4¿ are a selected from a variety of substituted or unsubstituted alkyl and aryl groups and oligopeptides.