2-Methyl-6-Chlor-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)purin | 42890-31-3

• 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: 2-Methyl-6-Chlor-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)purin
• 英文别名: 9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-6-chloro-2-methyl-9H-purine；tri-O-acetyl-1-(6-chloro-2-methyl-purin-9-yl)-β-D-1-deoxy-ribofuranose；9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-2-methyl-9H-purine；[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-methylpurin-9-yl)oxolan-2-yl]methyl acetate
• CAS: 42890-31-3
• 化学式: C₁₇H₁₉ClN₄O₇
• 分子量: 426.813
• InChiKey: JYPYAXQMBYFUFS-LSCFUAHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-Methylinosin 、 2-Methyl-6-Chlor-9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)purin 、 2-[(R)-2-amino-1-propylthio]benzothiazole hydrochloride 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以11%的产率得到N-[(R)-1-(2-benzothiazolyl)thio-2-propyl]-2-methyladenosine
  参考文献：
  名称：

  2, N.sup.6 -disubstituted adenosines, tri-O-ester derivatives and their

  摘要：

  化合物的分子式（I），或其药学上可接受的盐：##STR1##其中X是卤素，三氟甲基，氰基，C.sub.1-6-烷氧基，C.sub.1-6-烷硫基，C.sub.1-6-烷基氨基或C.sub.1-6-二烷基胺基；R.sup.1和R.sup.4为H或直链或支链C.sub.1-6-烷基或三氟甲基，或R.sup.1和R.sup.4一起形成环烷基环；Y是O，S，SO.sub.2，NH或N-烷基；R.sup.5从可选择的取代的杂环中选择。R.sup.6和R.sup.7是氢，苯甲酰基或C.sub.1-6-烷酰基。已发现这些化合物对治疗中枢神经系统和心血管疾病有用。

  公开号：

  US05484774A1

文献信息

• 2-chloro-N.sup.6 -substituted adenosines, their pharmaceutical
  申请人：Novo Nordisk A/S

  公开号：US05430027A1

  公开（公告）日：1995-07-04

  Adenosine compounds having the following structure ##STR1## wherein X is halogen, perhalomethyl, acetamido, cyano, C.sub.1-6 -alkoxy, C.sub.1-6 -alkylthio or C.sub.1-6 -alkylamino; and R.sup.1 is --NR.sup.2 R.sup.3 or YR.sup.4, wherein Y is oxygen or sulfur; R.sup.2 is phenyl, C.sub.1-6 -alkyl or substituted C.sub.1-6 -alkyl; and R.sup.4 is naphthyl, partly saturated naphthyl; optionally phenyl or phenoxy substituted C.sub.1-6 -alkyl wherein the phenyl and phenoxy substituents are also optionally substituted, or optionally phenyl or phenoxy substituted C.sub.3-8 -cycloalkyl and their pharmaceutically acceptable salts are useful in the treatment of myocardial and cerebral ischemias.

  具有以下结构的腺苷化合物：##STR1## 其中X是卤素，全卤代甲基，乙酰胺基，氰基，C.sub.1-6-烷氧基，C.sub.1-6-烷基硫基或C.sub.1-6-烷基氨基; R.sup.1是--NR.sup.2R.sup.3或YR.sup.4，其中Y是氧或硫; R.sup.2是苯基，C.sub.1-6-烷基或取代的C.sub.1-6-烷基; R.sup.4是萘基，部分饱和的萘基; 可选地为取代的C.sub.1-6-烷基，其中苯基和苯氧基取代基也可选地取代，或可选地为取代的C.sub.3-8-环烷基及其药学上可接受的盐，用于治疗心肌和脑缺血。
• Purine derivatives
  申请人：Novo Nordisk A/S

  公开号：US05672588A1

  公开（公告）日：1997-09-30

  A compound of formula (I), or a pharmaceutically acceptable salt thereof: ##STR1## wherein X is hydrogen, amino, halogen, hydroxy, lower alkoxy or lower alkyl and R.sup.1 is ##STR2## wherein Y is methylene or a valence bond, R.sup.2 and R.sup.5 is H or lower, straight or branched alkyl, R.sup.3 is H or lower alkyl, or R.sup.2 and R.sup.3 can together form a cyclobutyl, cyclopentyl, cyclohexyl or phenyl ring, Z is oxygen, methylene, sulphur, sulphonyl or a valence bond, R.sup.4 is H, lower alkyl, aralkyl, a mono or bicyclic aromatic system optionally substituted with various groups. The compounds have been found useful for treating central nervous system ailments.

  化合物公式（I）或其药学上可接受的盐： 其中X为氢、氨基、卤素、羟基、较低的烷氧基或较低的烷基，R1为 其中Y为亚甲基或一个价键，R2和R5为H或较低的、直链或支链烷基，R3为H或较低的烷基，或R2和R3可以共同形成环丁基、环戊基、环己基或苯环，Z为氧、亚甲基、硫、磺酰或一个价键，R4为H、较低的烷基、芳基烷基、一个单环或双环芳香系统，可选地被各种基团取代。这些化合物已被发现对治疗中枢神经系统疾病有用。
• Treatment of ischemias by administration of 2,N.sup.6 -substituted
  申请人：Novo Nordisk A/S

  公开号：US05683989A1

  公开（公告）日：1997-11-04

  The present invention relates to compounds of formula I ##STR1## wherein X is amino, C.sub.1-6 -alkylamino, di-C.sub.1-6 -alkylamino; R.sup.1 is H, straight or branched C.sub.1-6 -alkyl or trifluoromethyl; R.sup.4 is H or straight or branched C.sub.1-6 -alkyl; or R.sup.1 and R.sup.4 together form a cyclobutyl, cyclopentyl or cyclohexyl ring; Y is O, S, SO.sub.2, N--H or N-alkyl; R.sup.5 is selected from optionally substituted heterocycles; R.sup.6 is hydrogen, benzoyl or C.sub.1-6 -alkanoyl and R.sup.7 is hydrogen, benzoyl or C.sub.1-6 -alkanoyl; or a pharmaceutically acceptable salt thereof. The compounds have been found useful for treating central nervous system and cardiovascular ailments.

  本发明涉及公式I的化合物：##STR1## 其中X为氨基，C.sub.1-6-烷基氨基，双C.sub.1-6-烷基氨基；R.sup.1为H，直链或支链C.sub.1-6-烷基或三氟甲基；R.sup.4为H或直链或支链C.sub.1-6-烷基；或R.sup.1和R.sup.4一起形成环丁基，环戊基或环己基；Y为O，S，SO.sub.2，N--H或N-烷基；R.sup.5选择从可选取代的杂环中；R.sup.6为氢，苯甲酰或C.sub.1-6-烷酰基，R.sup.7为氢，苯甲酰或C.sub.1-6-烷酰基；或其药学上可接受的盐。这些化合物被发现对治疗中枢神经系统和心血管疾病有用。
• US5484774A
  申请人：——

  公开号：US5484774A

  公开（公告）日：1996-01-16
• US5672588A
  申请人：——

  公开号：US5672588A

  公开（公告）日：1997-09-30