8-Amino-9-benzylguanine | 100890-94-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-Amino-9-benzylguanine
• 英文别名: 2,8-diamino-9-benzyl-1H-purin-6-one
• CAS: 100890-94-6
• 化学式: C₁₂H₁₂N₆O
• 分子量: 256.26
• InChiKey: DPDYTYOWSIRPMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• 8-Substituted guanine derivatives
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0156559A2

  公开（公告）日：1985-10-02

  Compounds of formula and their pharmaceutically acceptable salts are disclosed. R1 is 0 or S; R2 is bromine or NHR where R is hydrogen or COR5 where Rs is alkyl of 1-4 carbon atoms, aryl or arylalkyl; and X and Y are each independently halogen, alkyl of 1-4 carbon atoms, alkoxy of 1-4 carbon atoms, trifluoromethyl, hydroxy, CN, SOnR3, COOR3, NR3R4, in which R3 and R4 are each independently hydrogen or alkyl of 1-4 carbon atoms and n is 0, 1, 2 or 3, and Y is further chosen from hydrogen. Also disclosed are a process for producing the compounds and pharmaceutical compounds comprising the compounds. The compounds are useful for treating autoimmune diseases.

  本发明公开了式化合物及其药学上可接受的盐。 R1为0或S；R2为溴或NHR，其中R为氢或COR5，其中Rs为1-4个碳原子的烷基、芳基或芳烷基；X和Y各自独立地为卤素、1-4个碳原子的烷基、1-4个碳原子的烷氧基、三氟甲基、羟基、CN、SOnR3、COOR3、NR3R4，其中R3和R4各自独立地为氢或1-4个碳原子的烷基，n为0、1、2或3，Y进一步选自氢。 本发明还公开了化合物的生产工艺和包含这些化合物的药用化合物。 这些化合物可用于治疗自身免疫性疾病。
• Purine derivatives
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0178178A2

  公开（公告）日：1986-04-16

  Novel purine derivatives, particularly novel guanines and hypoxanthines, are described as agents for treating autoimmune diseases. The compounds have the following formula (I): or a pharmaceutically acceptable acid addition or base salt thereof; wherein: Rl is OH or SH; R2 is (i) hydrogen or (ii) NHR in which R is hydrogen or CORe in which R6 is alkyl of one to four carbon atoms, aryl or arylalkyl; R3 is hydrogen, hydroxyl, mercapto, bromide or NHR in which R is hydrogen or COR6; n is zero or one, m is zero or one or two or three, with the proviso that m or n is at least one; R4 and Rs are each, independently, hydrogen, alkyl of from one to four carbon atoms, aryl, arylalkyl, cycloalkyl of from three to six carbon atoms or hydroxyalkyl of from one to four carbon atoms; and Ar is heteroaryl or heteroaryl substituted by (i) alkyl of from one to four carbon atoms, (ii) alkoxy of from one to four carbon atoms, or (iii) -C = C-C = C- attached to adjacent carbon atoms of the heteroaryl to form a benzo radical, or (iv) halogen; excluding the compound wherein R1 is OH, R2 is amino, R3 is hydrogen, n is zero, m is one, and Ar is 2-furanyl.

  新型嘌呤衍生物，特别是新型鸟嘌呤和次黄嘌呤，被描述为治疗自身免疫性疾病的药物。这些化合物具有下式 (I)： 或其药学上可接受的酸加成盐或碱式盐； 其中Rl 是 OH 或 SH； R2是(i)氢或(ii)NHR，其中R是氢或CORe，其中R6是一至四个碳原子的烷基、芳基或芳烷基； R3 是氢、羟基、巯基、溴化物或 NHR，其中 R 是氢或 COR6； n 为 0 或 1，m 为 0 或 1 或 2 或 3，但 m 或 n 至少为 1； R4 和 Rs 各自独立地为氢、一至四个碳原子的烷基、芳基、芳烷基、三至六个碳原子的环烷基或一至四个碳原子的羟烷基；以及 Ar 是杂芳基或被以下物质取代的杂芳基：(i) 1 至 4 个碳原子的烷基，(ii) 1 至 4 个碳原子的烷氧基，或 (iii) 连接到杂芳基相邻碳原子上形成苯偶氮基的-C = C-C = C-，或 (iv) 卤素；不包括 R1 为 OH、R2 为氨基、R3 为氢、n 为零、m 为 1 且 Ar 为 2-呋喃基的化合物。
• 2',3'-Dideoxypurinnucleosid/Purinnucleosid-Phosphorylase-Inhibitor Kombinationstherapie und Zusammensetzungen dafür
  申请人：CIBA-GEIGY AG

  公开号：EP0374096A1

  公开（公告）日：1990-06-20

  Es wird die Kombinationstherapie von 2′,3′-Dideoxypurinnucleosiden mit Purin­nucleosid-Phosphorylase-Inhibitoren beschrieben. Sie dient der Behandlung von auf HIV (human immunodeficiency virus) und anderen Retroviren zurückgehende Infektionen, d.h. unter anderem von AIDS. Sie dient ferner einer Verlangsamung des in-vivo-Abbaus der 2′,3′-Dideoxypurinnucleoside und einer Wirkungssteigerung der 2′,3′-Dideoxypurin­nucleoside. Zusammensetzungen, die in diesen Therapien zur Anwendung kommen, werden ebenfalls offenbart.

  介绍了 2′,3′-二脱氧嘌呤核苷与嘌呤核苷磷酸酶抑制剂的联合疗法。该疗法用于治疗由艾滋病毒（人类免疫缺陷病毒）和其他逆转录病毒引起的感染，即艾滋病等。它还能减缓 2′,3′-二脱氧嘌呤核苷的体内降解，增加 2′,3′-二脱氧嘌呤核苷的作用。还公开了用于这些疗法的组合物。
• Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines
  申请人：THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services

  公开号：EP1518854A1

  公开（公告）日：2005-03-30

  The present invention provides AGT inactivating compounds such as 7- or 9-substituted 8- aza- O6-benzylguanines of formula (III) or (IV), and related substituted O6-benzyl guanines, as well as pharmaceutical compositions comprising such compounds along with a pharmaceutically acceptable carrier. The present invention further provides a method of enhancing the chemotherapeutic treatment of tumour cells in a mammal with an antineoplastic alkylating agent which causes cytotoxic lesions at the O6- position of guanine, by administering to a mammal an effective amount of one of the aforesaid compounds, 2,4-diamino-6-benzyloxy-s-triazine, or 8-aza-O6-benzylguanine, and administering to the mammal an effective amount of an antineoplastic alkylating agent which causes cytotoxic lesions at the O6- position of guanine.

  本发明提供了AGT失活化合物，如式(III)或(IV)的7-或9-取代的8-氮杂O6-苄基鸟嘌呤和相关的取代的O6-苄基鸟嘌呤，以及包含此类化合物和药学上可接受的载体的药物组合物。本发明进一步提供了一种用抗肿瘤烷化剂加强对哺乳动物体内肿瘤细胞的化疗治疗的方法，该抗肿瘤烷化剂可在鸟嘌呤的 O6-位上引起细胞毒性病变、向哺乳动物施用有效量的上述化合物之一、2,4-二氨基-6-苄氧基-s-三嗪或 8-氮杂-O6-苄基鸟嘌呤，并向哺乳动物施用有效量的抗肿瘤烷化剂，这种抗肿瘤烷化剂可在鸟嘌呤的 O6-位上引起细胞毒性病变。
• HETEROCYCLIC COMPOUNDS
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0550574A1

  公开（公告）日：1993-07-14