2-Methyl-3-[2-(4-ethylbenzyloxy)ethoxy]7-ethoxycarbonylmethylthio-pyrazolo[4,3-d]pyrimidine | 100566-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-Methyl-3-[2-(4-ethylbenzyloxy)ethoxy]7-ethoxycarbonylmethylthio-pyrazolo[4,3-d]pyrimidine
• 英文别名: Ethyl 2-[3-[2-[(4-ethylphenyl)methoxy]ethoxy]-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate
• CAS: 100566-18-5
• 化学式: C₂₁H₂₆N₄O₄S
• 分子量: 430.528
• InChiKey: QDRVJBGDJBRVIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-methyl-3-hydroxy-7-ethoxycarbonylmethylthio-pyrazolo[4,3-d]pyrimidine 生成 2-Methyl-3-[2-(4-ethylbenzyloxy)ethoxy]7-ethoxycarbonylmethylthio-pyrazolo[4,3-d]pyrimidine
  参考文献：
  名称：

  FUDZIKAVA, JOSIXIRO;SUDZUKI, MIKIO;SAKASITA, MITSUAKI;SUJRYUSOEH, NOBUTOM+

  摘要：

  DOI：

文献信息

• Pyrazolo[4,3-d]pyrimidine derivative, process for its production,
  申请人：Nissan Chemical Industries Ltd.

  公开号：US04654348A1

  公开（公告）日：1987-03-31

  A pyrazolo[4,3-d]pyrimidine derivative having the formula: ##STR1## wherein R.sup.1 is lower alkyl or phenyl, R.sup.2 is --A--CO.sub.2 R.sup.21 (wherein A is alkylene having from 1 to 10 carbon atoms which is unsubstituted or substituted by alkyl having from 1 to 3 carbon atoms; and R.sup.21 is lower alkyl having from 1 to 4 carbon atoms), --CH.sub.2 CO-phenyl, a saturated or unsaturated, straight chain or branched aliphatic group having from 3 to 16 carbon atoms, phenyl-lower alkyl, --CH.sub.2 CN, chloro substituted phenyl-lower alkyl or ##STR2## (wherein R.sup.22 is hydrogen or lower alkyl), and R.sup.3 is a saturated or unsaturated, straight chain or branched aliphatic group having from 2 to 22 carbon atoms, phenyl-lower alkyl, benzyloxy substituted phenyl-lower alkyl, lower alkyl substituted or unsubstituted 2-(phenylmethyloxy)ethyl, cyclohexylcyclohexyl, methylcyclohexyl, 3-thia-n-heptyl, 3,6-dioxa-n-decyl, 4-oxo-n-pentyl or 2-hydroxyethyl. Intermediates and processes of making the compounds of formula I are also disclosed. The compounds of formula I are useful as antihyperlipidemic agents.

  一种具有以下结构的吡唑并[4,3-d]嘧啶衍生物：##STR1##其中R.sup.1是较低的烷基或苯基，R.sup.2是--A--CO.sub.2R.sup.21（其中A是具有1至10个碳原子的未取代或取代的烷基，取代基为具有1至3个碳原子的烷基；R.sup.21是具有1至4个碳原子的较低烷基），--CH.sub.2CO-苯基，具有3至16个碳原子的饱和或不饱和、直链或支链脂肪族基团，苯基-较低烷基，--CH.sub.2CN，氯取代的苯基-较低烷基或##STR2##（其中R.sup.22是氢或较低烷基），R.sup.3是具有2至22个碳原子的饱和或不饱和、直链或支链脂肪族基团，苯基-较低烷基，苄氧基取代的苯基-较低烷基，取代或未取代的2-(苯基甲氧基)乙基，环己基环己基，甲基环己基，3-硫代-n-庚基，3,6-二氧-n-癸基，4-氧代-n-戊基或2-羟乙基。还公开了制备式I化合物的中间体和工艺。式I化合物可用作抗高脂血症药物。
• Pyrazolo[4,3-d] pyrimidine derivative process for its production antihyperlipidemic agent containing it, its intermediate, and process for the production of the intermediate
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0157415A2

  公开（公告）日：1985-10-09

  A pyrazolo[4,3-d]pyrimidine derivative having the formula: wherein R1 is lower alkyl, phenyl or substituted phenyl, R2 is -A-CO2R21 (wherein A is alkylene having from 1 to 3 carbon atoms which is unsubstituted or substituted by methyl, and R21 is lower alkyl having from 1 to 4 carbon atoms), -CH2CO-phenyl, a saturated or unsaturated, straight chain or branched aliphatic group having from 3 to 16 carbon atoms, phenyl-lower alkyl, -CH2CN, substituted phenyl-lower alkyl, cyclohexylcyclohexyl, methylcyclohexyl, 4-thia-n-heptyl, 3,6-dioxa-n-octyl, 4-oxo-n-pentyl or (wherein R22 is hydrogen or lower alkyl), and R3 is a saturated or unsaturated, straight chain or branched aliphatic group having from 2 to 22 carbon atoms, phenyl-lower alkyl, substituted phenyl-lower alkyl, substituted or unsubstituted phenyl-methyloxyethyl or 2-hydroxyethyl.

  一种吡唑并[4,3-d]嘧啶衍生物，其式如下 其中 R1 是低级烷基、苯基或取代苯基，R2 是-A-CO2R21（其中 A 是具有 1 至 3 个碳原子的亚烷基，未被取代或被甲基取代，R21 是具有 1 至 4 个碳原子的低级烷基），-CH2CO-苯基、具有 3 至 16 个碳原子的饱和或不饱和、直链或支链脂肪族基团、苯基低级烷基、-CH2CN、取代苯基低级烷基、环己基环己基、甲基环己基、4-硫杂-n-庚基、3,6-二氧杂-n-辛基、4-氧代-n-戊基，或 (其中 R22 为氢或低级烷基），R3 为具有 2 至 22 个碳原子的饱和或不饱和、直链或支链脂族基团、苯基-低级烷基、取代的苯基-低级烷基、取代或未取代的苯基-甲基羟乙基或 2-羟乙基。
• FUJIKAWA, YOSHIHIRO;SUZUKI, MIKIO;SAKASHITA, MITSUAKI;TSURUZOE, NOBUTOMO;+
  作者：FUJIKAWA, YOSHIHIRO、SUZUKI, MIKIO、SAKASHITA, MITSUAKI、TSURUZOE, NOBUTOMO、+

  DOI：——

  日期：——
• US4654348A
  申请人：——

  公开号：US4654348A

  公开（公告）日：1987-03-31