(2S,3S,4R,5R)-5-{6-[(2,2-Diphenylethyl)amino]-2-iodo-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide | 177546-00-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: (2S,3S,4R,5R)-5-{6-[(2,2-Diphenylethyl)amino]-2-iodo-9H-purin-9-yl}-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide
• 英文别名: (2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-iodopurin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
• CAS: 177546-00-8
• 化学式: C₂₆H₂₇IN₆O₄
• 分子量: 614.443
• InChiKey: JFOOEFJBYGRNJR-UGCAPWQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Purine derivatives
  申请人：——

  公开号：US20010020089A1

  公开（公告）日：2001-09-06

  The present invention relates to the compounds of the formula: 1 and pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, composites containing, and the uses of such compounds as adenosine A2a receptor agonists.

  本发明涉及公式1的化合物及其药用可接受的盐和溶剂合物，以及用于制备、用于制备的中间体、含有的复合物和将这些化合物用作腺苷A2a受体激动剂的用途的过程。
• PURINE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1255764B1

  公开（公告）日：2006-05-10
• US6525032B2
  申请人：——

  公开号：US6525032B2

  公开（公告）日：2003-02-25
• [EN] AMINO PURINE- beta -D-RIBOFURANURONAMIDE DERIVATIVES<br/>[FR] DERIVES AMINO PURINE- beta -D-RIBOFURANURONAMIDE
  申请人：GLAXO GROUP LIMITED

  公开号：WO1996002553A2

  公开（公告）日：1996-02-01

  (EN) Amino purine-$g(b)-D-ribofuranuronamide derivatives are described having general formula (I) and salts and solvates thereof, wherein: R1 is hydrogen, C3-8cycloaklyl or C1-6alkyl; A represents O, S, SO, SO2, a saturated hydrocarbon moiety having from 1 to 4 carbon atoms or an unsaturated hydrocarbon moiety having from 2 to 4 carbon atoms; R2 is C3-8cycloalkyl, C3-8cycloalkyl C1-6alkyl, Alk1Y, -(CHR5)m (Alk2)nZ or appropriately substituted C3-8cycloalkyl, C3-8cycloalkylC1-6alkyl, pyrrolidin-3-yl, 2-oxopyrrolidin-4-yl, 2-oxopyrrolidin-5-yl, piperidin-3-yl or piperidin-4-yl, and Q is oxygen or sulphur with the proviso that when A represents O, S, SO or SO2, Alk1 represents a C2-6alkylene group. Compounds of formula (I) and their salts and solvates have use in medicine as anti-inflammatory agents, particularly in the treatment of patients with inflammatory conditions who are susceptible to leukocyte-induced tissue damage.(FR) L'invention concerne des dérivés amino purine-$g(b)-D-ribofuranuronamide de formule générale (I) ainsi que leurs sels et solvates. Dans cette formule, R1 est hydrogène, cycloalkyleC3-8 ou alkyleC1-6; A représente O, S, SO, SO2, un fragment hydrocarbure saturé possédant de 1 à 4 atomes de carbone ou bien un fragment hydrocarbure insaturé possédant de 2 à 4 atomes de carbone; R2 est cycloalkyleC3-8, cycloalkyleC3-8 alkyleC1-6, Alk1Y, -(CHR5)m (Alk2)nZ ou bien cycloalkyleC3-8, cycloalkyleC3-8 alkyleC1-16 à substitution appropriée, pyrrolidin-3-yl, 2-oxopyrrolidin-4-yl, 2-oxopyrrolidin-5-yl, piperidin-3-yl ou piperidin-4-yl, et Q est oxygène ou soufre à condition que lorsque A représente O, S, SO ou bien SO2, Alk1 représente un groupe alkylèneC2-6. Ces composés de formule (I) ainsi que leurs sels et solvates s'utilisent en médecine comme agents anti-inflammatoires, notamment dans le traitement de patients atteints de manifestations inflammatoires, qui sont sujets à des lésions tissulaires à induction leucocytaire.