ethyl 4-[(2-chloro-1H-purin-6-yl)amino]benzoate | 439803-47-1

• 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: ethyl 4-[(2-chloro-1H-purin-6-yl)amino]benzoate
• 英文别名: ethyl 4-[(2-chloro-7H-purin-6-yl)amino]benzoate
• CAS: 439803-47-1
• 化学式: C₁₄H₁₂ClN₅O₂
• 分子量: 317.735
• InChiKey: SKIXIARHFYIHPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-1,4-Diaminocyclohexane 、 ethyl 4-[(2-chloro-1H-purin-6-yl)amino]benzoate 在 水 、 氯化钠 、 Sodium sulfate-III 作用下， 以 methanol-dichloromethane 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Novel purine derivatives, preparation method and use as medicines

  摘要：

  使用式(I)的嘌呤衍生物作为CDK激酶抑制剂，用于预防和治疗真菌感染。此外，还揭示了制备式I化合物的新方法和中间体，以及含有该化合物的药物组合物。

  公开号：

  US20040063732A1

文献信息

• NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES
  申请人：BORDON-PALLIER Florence

  公开号：US20080090849A1

  公开（公告）日：2008-04-17

  Purine derivatives of formula (I): Their use as cdk kinase inhibitors for the prevention and treatment of fungal infections, as well as novel methods and intermediates for the production of compounds of formula I, and pharmaceutical compositions containing said compounds.

  公式（I）的嘌呤衍生物：它们作为CDK激酶抑制剂用于预防和治疗真菌感染，以及用于制备公式I化合物的新方法和中间体，以及含有该化合物的药物组合物。
• Purine derivatives, preparation method and use as medicines
  申请人：Aventis Pharma S.A.

  公开号：US07041824B2

  公开（公告）日：2006-05-09

  The use of purine derivatives of formula (I): in which: Rx is —(Z)n—R1 wherein Z is a divalent radical selected from —CH2—, —SO2—, —CO—, —COO—, —CONH— and —(CH2)2—NR6—, n is the an integer selected from 0 and 1, R1 is selected from hydrogen, aryl, —CH2-aryl, —SO2-aryl, heterocyclic, —CH2-heterocyclic, alkyl and —SO2-alkyl, Ry is a phenyl radical (optionally substituted) or the radical: wherein D1 and D2, which are identical or different are selected from hydrogen, hydroxyl, the linear or branched alkyl or alkoxy radicals containing at most 6 carbon atoms and NHR5, or, alternatively, taken together, D1 and D2 form a radical selected from ═O and ═N—OR4, R4 is hydrogen, alkyl, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, cycloalkyl or aryl, R5 is hydrogen, alkyl, cycloalkyl, or —COOtBu (Boc), and R6 is hydrogen, alkyl or cycloalkyl, wherein the alkyl moiety contains 1 to 6, optionally substituted, carbon atoms; as cdk kinase inhibitors for the prevention and treatment of fungal infections. Also disclosed are novel methods and intermediates for the production of compounds of formula I, as well as pharmaceutical compositions containing said compounds.

  公式（I）的嘌呤衍生物的用途：其中：Rx是—（Z）n—R1，其中Z是从—CH2—，—SO2—，—CO—，—COO—，—CONH—和—（CH2）2—NR6—中选择的二价基团，n是从0和1中选择的整数，R1是氢，芳基，—CH2-芳基，—SO2-芳基，杂环，—CH2-杂环，烷基和—SO2-烷基中选择的基团，Ry是苯基基团（可选地取代）或基团：其中D1和D2相同或不同，选择自氢，羟基，含最多6个碳原子的线性或支链烷基或烷氧基基团和NHR5，或者，D1和D2取在一起，形成从═O和═N—OR4中选择的基团，R4是氢，烷基，氨基烷基，烷基氨基烷基，二烷基氨基烷基，环烷基或芳基，R5是氢，烷基，环烷基或—COOtBu（Boc），R6是氢，烷基或环烷基，其中烷基基团含有1至6个，可选地取代的碳原子；作为预防和治疗真菌感染的cdk激酶抑制剂。还披露了制备公式I化合物的新方法和中间体，以及包含所述化合物的药物组合物。
• US7041824B2
  申请人：——

  公开号：US7041824B2

  公开（公告）日：2006-05-09
• Novel purine derivatives, preparation method and use as medicines
  申请人：Aventis Pharma S.A.

  公开号：US20040063732A1

  公开（公告）日：2004-04-01

  The use of purine derivatives of formula (I): 1 as cdk kinase inhibitors for the prevention and treatment of fungal infections. Also disclosed are novel methods and intermediates for the production of compounds of formula I, as well as pharmaceutical compositions containing said compounds.

  将式(I)的嘌呤衍生物用作CDK激酶抑制剂，用于预防和治疗真菌感染。还公开了用于制备式(I)化合物的新方法和中间体，以及含有该化合物的药物组合物。