NSC46384 | 5069-79-4

• 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: NSC46384
• 英文别名: 6-(4-methyl-benzylsulfanyl)-7(9)H-purin-2-ylamine；2-amino-6-[(4-methylphenyl)methylthio]purine；6-[(4-methylphenyl)methylsulfanyl]-7H-purin-2-amine
• CAS: 5069-79-4
• 化学式: C₁₃H₁₃N₅S
• 分子量: 271.346
• InChiKey: CMQWSXMODVGGFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  NSC46384 、 2-(乙酰氧基甲基)-4-碘乙酸丁酯 以gave the title compound 33.3 g (79%) m.p. 102°-103°, and 4.2 g (9.9%) of 7-(4-acetoxy-3-acetoxymethylbut-1-yl)-2- amino-6-[(4-methylphenyl)methylthio]purine的产率得到
  参考文献：
  名称：

  Process for the preparation of purine derivatives

  摘要：

  一种制备式(I)化合物或其药学上可接受的盐的方法，其中该方法包括将式(II)化合物与式(III)化合物反应：式(II)中，氨基可以选择性地被保护，Y为碘，可选择性地被取代的苄硫基或(苯乙酰甲基)硫基；式(III)中，Q为离去基，R.sub.x和R.sub.y为保护的羟甲基或酰氧甲基，或可转化为羟甲基或酰氧甲基的基团；R.sub.z为氢或可转化为氢的基团。然后通过水解将Y转化为X为羟基，或通过还原将Y转化为X为氢。将R.sub.x和R.sub.y（除了羟甲基或酰氧甲基）转化为羟甲基或酰氧甲基，可选择将R.sub.x / R.sub.y羟甲基转化为酰氧甲基或反之。必要时去保护2-氨基团并将R.sub.z（除了氢）转化为氢。可选择形成药学上可接受的盐。

  公开号：

  US05017701A1

文献信息

• THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS
  申请人：BROWN Dennis M.

  公开号：US20160045502A1

  公开（公告）日：2016-02-18

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to mustard-based alkylating agents such as uracil mustard and analogs, derivatives, or prodrugs thereof, including 6-methyluracil mustard and 6-ethyluracil mustard.

  本发明描述了一种改善先前受到治疗性能不佳限制的治疗剂的治疗效果的方法和组合物，通过改善单药疗法的功效或减少副作用。这种方法和组合物特别适用于芥子碱基烷基化剂，例如尿嘧啶芥和其类似物、衍生物或前药，包括6-甲基尿嘧啶芥和6-乙基尿嘧啶芥。
• Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US11026914B2

  公开（公告）日：2021-06-08

  Methods and compositions suitable for the treatment of malignancies such as recurrent glioma and progressive secondary brain tumor are disclosed. These methods employ a hexitol derivative such as dianhydrogalactitol, a derivative or analog of dianhydrogalactitol, diacetyldianhydrogalactitol, or a derivative or analog of diacetyldianhydrogalactitol. The compositions can include such hexitol derivatives.

  本发明公开了适用于治疗复发性胶质瘤和进行性继发性脑瘤等恶性肿瘤的方法和组合物。这些方法采用己糖醇衍生物，如二氢半乳糖醇、二氢半乳糖醇的衍生物或类似物、二乙酰二氢半乳糖醇或二乙酰二氢半乳糖醇的衍生物或类似物。组合物可以包括此类己糖醇衍生物。
• METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF
  申请人：Del Mar Pharmaceuticals

  公开号：EP2872161A2

  公开（公告）日：2015-05-20
• DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS
  申请人：Del Mar Pharmaceuticals

  公开号：EP2872161B1

  公开（公告）日：2020-12-16
• 6-ETHER/THIOETHER-PURINES AS TOPOISOMERASE II CATALYTIC INHIBITORS AND THEIR USE IN THERAPY
  申请人：Jensen Lars Hollund

  公开号：US20090209535A1

  公开（公告）日：2009-08-20

  The present invention relates to certain purines of the following formulae, which act as topoisomerase II catalytic inhibitors: wherein: J is independently: —H or —NR N1 R N2 ; X is independently: —O—, or —S—; Q is independently: a covalent bond, C 1-7 alkylene, C 2-7 alkenylene, C 2-7 alkynylene, C 3-7 cycloalkylene, C 3-7 cycloalkenylene, or C 3-7 cycloalkynylene; T is independently: a group A 1 or a group A 2 ; A 1 is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, or C 3-12 heterocyclic; and is independently unsubstituted or substituted; A 2 is independently: —H, —CN, —OH, or —O(C═O)—C 1-7 alkyl; R N is independently —H or a nitrogen ring substituent; R 8 is independently —H or a ring substituent; either: each of R N1 and R N2 is independently —H or a nitrogen substituent; or: R N1 and R N2 taken together with the nitrogen atom to which they are attached form a ring having from 3 to 7 ring atoms; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. These compounds are useful in combination with topoisomerase II poisons, such as anthracyclines and epipodophyllotoxins, in the treatment of proliferative conditions (e.g., cancer). These compounds are also useful in the treatment of tissue damage associated with extravasation of a topoisomerase II poison, such as an anthracycline or an epipodophyllotoxin.