4,5,6,7-四氢吡唑并[1,5-a]嘧啶-3-胺 | 148777-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 4,5,6,7-四氢吡唑并[1,5-a]嘧啶-3-胺
• 英文名称: 3-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
• 英文别名: 3-amino-4,5,7,8-tetrahydropyrazolo[1,5-a]pyrimidine；4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
• CAS: 148777-81-5
• 化学式: C₆H₁₀N₄
• 分子量: 138.172
• InChiKey: KJSUUQOHRQRALU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢吡唑并[1,5-a]嘧啶-3-胺 以88%的产率得到3-amino-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine sulfate
  参考文献：
  名称：

  Hair dye containing aminopyrazole derivatives as well as pyrazole

  摘要：

  染发氧化染料的组成物至少包含一种偶联剂和0.010至3.0重量百分比的至少一种选择自氨基吡唑衍生物的开发剂，其化学式为(I)：其中R选择自氢和碳原子数为1至4的烷基基团的群；n=2或3；以及其生理耐受的水溶性盐。开发剂和偶联剂物质在组成物中的总量为0.1至5.0百分比。新的吡唑衍生物化合物也属于该发明的一部分。

  公开号：

  US05380340A1
• 作为产物：
  描述：

  3-硝基-4H,5H,6H,7H-吡唑并[1,5-a]嘧啶 、 甲醇盐酸 在 palladium-carbon 作用下， 以 甲醇 为溶剂， 生成 4,5,6,7-四氢吡唑并[1,5-a]嘧啶-3-胺
  参考文献：
  名称：

  Hair dye containing aminopyrazole derivatives as well as pyrazole

  摘要：

  染发氧化染料的组成物至少包含一种偶联剂和0.010至3.0重量百分比的至少一种选择自氨基吡唑衍生物的开发剂，其化学式为(I)：其中R选择自氢和碳原子数为1至4的烷基基团的群；n=2或3；以及其生理耐受的水溶性盐。开发剂和偶联剂物质在组成物中的总量为0.1至5.0百分比。新的吡唑衍生物化合物也属于该发明的一部分。

  公开号：

  US05380340A1

文献信息

• Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound
  申请人：——

  公开号：US20040074014A1

  公开（公告）日：2004-04-22

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one selected mineral compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维，特别是人类角蛋白纤维（如头发）的组合物，包括至少选择自4,5-或3,4-二氨基吡唑和三氨基吡唑中的至少一种氧化碱，与至少一种选定的矿物化合物结合，以及使用这种组合物与氧化剂进行染色的染色过程。
• Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method
  申请人：——

  公开号：US20040237219A1

  公开（公告）日：2004-12-02

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one particular cellulose-based compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维，特别是人类角蛋白纤维如头发的组合物，包括至少选择自4,5-或3,4-二氨基吡唑和三氨基吡唑中的至少一种氧化碱，结合至少一种特定的基于纤维素的化合物，以及使用含有氧化剂的该组合物进行染色的方法。
• Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound
  申请人：——

  公开号：US20040088800A1

  公开（公告）日：2004-05-13

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one selected carbonyl compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维的组合物，特别是人类角蛋白纤维，如头发，包括至少选自4,5-或3,4-二氨基吡唑和三氨基吡唑的氧化碱，与至少一种选择的羰基化合物结合，以及使用含有氧化剂的该组合物进行染色的过程。
• [EN] COMPOUND DERIVED FROM 4,5-DIAMINOPYRAZOLES COMPRISING A FUSED RING, COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS AND USE<br/>[FR] COMPOSÉ DÉRIVÉ DE 4,5-DIAMINOPYRAZOLES COMPRENANT UN CYCLE FUSIONNÉ, COMPOSITION COMPRENANT AU MOINS UN TEL COMPOSÉ, PROCÉDÉ DE MISE EN OEUVRE ET UTILISATION
  申请人：OREAL

  公开号：WO2018104474A1

  公开（公告）日：2018-06-14

  The present invention relates to a compound of formula (I), and also the tautomeric forms, optical isomers and geometrical isomers thereof, the addition salts thereof with an acid or base, and/or the solvates thereof. The invention also relates to the use of these particular compounds for dyeing keratin fibres.

  本发明涉及一种化合物（I）的结构，以及其互变异构体、光学异构体和几何异构体，以及其与酸或碱的加合盐，和/或其溶剂化合物。该发明还涉及将这些特定化合物用于染色角蛋白纤维。
• Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening
  作者：Judith M. LaLonde、Mark A. Elban、Joel R. Courter、Akihiro Sugawara、Takahiro Soeta、Navid Madani、Amy M. Princiotto、Young Do Kwon、Peter D. Kwong、Arne Schön、Ernesto Freire、Joseph Sodroski、Amos B. Smith

  DOI：10.1016/j.bmc.2010.11.049

  日期：2011.1

  The low-molecular-weight compound JRC-II-191 inhibits infection of HIV-1 by blocking the binding of the HIV-1 envelope glycoprotein gp120 to the CD4 receptor and is therefore an important lead in the development of a potent viral entry inhibitor. Reported here is the use of two orthogonal screening methods, GOLD docking and ROCS shape-based similarity searching, to identify amine-building blocks that, when conjugated to the core scaffold, yield novel analogs that maintain similar affinity for gp120. Use of this computational approach to expand SAR produced analogs of equal inhibitory activity but with diverse capacity to enhance viral infection. The novel analogs provide additional lead scaffolds for the development of HIV-1 entry inhibitors that employ protein-ligand interactions in the vestibule of gp120 Phe 43 cavity. (C) 2010 Elsevier Ltd. All rights reserved.