5-n-Butyl-3-methylpyrazol | 15803-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-n-Butyl-3-methylpyrazol
• 英文别名: 3-butyl-5-methyl-1H-pyrazole
• CAS: 15803-12-0
• 化学式: C₈H₁₄N₂
• 分子量: 138.213
• InChiKey: HVLYTKOXCXBHBD-UHFFFAOYSA-N

物化性质

• 沸点：
  253.6±9.0 °C(predicted)
• 密度：
  0.965±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-n-Butyl-3-methylpyrazol 在 氯磺酸 作用下， 反应 3.0h， 生成 3-butyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
  参考文献：
  名称：

  Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00575
• 作为产物：
  描述：

  2,4-辛烷二酮 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 5-n-Butyl-3-methylpyrazol
  参考文献：
  名称：

  Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c00575

文献信息

• Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation
  申请人：Naccari Giancarlo

  公开号：US20090258837A1

  公开（公告）日：2009-10-15

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟嘌呤三磷酸类似化合物，其通式为(I)。通式(I)的化合物中，糖基中的虚线键可以是单键或双键，其中R1、R2、R3、R4或R5，相互之间相同或不同，具有通式-(Int)m-Ter，其中m在0到12之间，Int和Ter是内部和末端构建块，其中Int从公式(II)所示的群组中选择；Ter从公式(III)所示的群组中选择。其中X代表芳香环内的碳或氮原子，Y代表氧或硫原子，以及附加基团Q、Qi基团或Qi基团（Qi表示该基团或若干基团可以结合到环的任何不饱和基团上）从以下群组中选择：—OH、—COOH、—N（CH3）2、—N（CH2— ）2、—CO— 、—CO—O— 、—O— 、—S— 、—SO2— 、—CN、—NO2或卤素元素，其中R5可以是公式(IV)及其金属和铵盐，其中n在0到5之间，或氧或磷部分或完全被氮、硫、亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及它们的制备方法。
• Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation
  申请人：Naccari Giancarlo

  公开号：US20120094948A1

  公开（公告）日：2012-04-19

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟嘌呤三磷酸的类似物化合物，其通式为（I）。通式（I）的化合物；其中糖基中的虚线键可以是单键或双键，其中R1、R2、R3、R4或R5，在彼此之间相等或不同，具有通式-(Int)m-Ter，其中m在0到12之间，Int和Ter是内部和末端构建块，其中Int选择自公式（II）所示的一组；Ter选择自公式（III）所示的一组。其中X表示芳香环中的碳或氮原子，Y表示氧或硫原子，另外的基团Q、基团Qi或基团Qi（Qi表示该基团或几个基团可以与环的任何不饱和基团结合）选择自-OH、-COOH、-N（CH3）2、-N（CH2- ）2| -CO- 、-CO-O- 、-O- 、-S- 、-SO2- 、-CN、-NO2或卤素元素等一组，其中R5可以是公式（IV）及其金属和铵盐，其中n在0到5之间，或氧或磷部分或完全被氮、硫、亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及它们的制备方法。
• Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation
  申请人：Naccari Giancarlo

  公开号：US20100323980A9

  公开（公告）日：2010-12-23

  The invention relates to analogous compounds of 6-thioguanosine triphosphate of general formula (I). A compound of the general formula (I); wherein the dashed bond in the sugar moiety can be either single or double and wherein R1, R2, R3, R4 or R5, equal or different between each other, have general formula -(Int) m -Ter, wherein m is between 0 and 12 and Int and Ter are Internal and Terminal building blocks, wherein Int is selected from the group consisting of formula (II); and Ter is selected from the group consisting of formula (III). And wherein X represents either carbon or nitrogen atom within aromatic ring, Y represents either oxygen or sulphur atom and an additional group Q, group Qi or groups Qi (Qi indicates that the group or several groups may be bound to any unsaturated moiety of the ring) are selected from the group consisting of —OH, —COOH, —N(CH 3 ) 2 , —N(CH 2 —CH 3 ) 2 |—CO—CH 3 , —CO—O—CH 3 , —O—CH 3 , —S—CH 3 , —SO 2 —CH 3 , —CN, —NO 2 or -Halogen elements, and wherein R5 may be formula (IV) and metal and ammonium salts thereof, wherein n is between O and 5, or oxygen or phosphorus is partially or completely replaced by nitrogen, sulphur, methyleno groups or their derivatives. The invention also concerns the uses of the above mentioned compounds in medical field and the process for their preparation.

  本发明涉及6-硫鸟苷三磷酸的类似化合物，其通式为（I）。通式（I）的化合物中，糖基中的虚线键可以是单键或双键，其中R1，R2，R3，R4或R5，在彼此之间相等或不同，具有通式-(Int)m-Ter，其中m介于0和12之间，Int和Ter是内部和终端构建块，其中Int从公式（II）所示的群中选择；Ter从公式（III）所示的群中选择。其中X表示芳香环中的碳或氮原子，Y表示氧或硫原子，以及额外的基团Q，基团Qi或基团Qi（Qi表示该基团或若干基团可以结合到环的任何不饱和部分）从以下群中选择：—OH，—COOH，—N（CH3）2，—N（CH2— ）2|—CO— ，—CO—O— ，—O— ，—S— ，—SO2— ，—CN，—NO2或-卤素元素，其中R5可以是公式（IV）及其金属和铵盐，其中n介于O和5之间，或氧或磷部分或完全被氮，硫，亚甲基基团或其衍生物所取代。本发明还涉及上述化合物在医学领域中的用途以及其制备方法。
• HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF
  申请人：Hinova Pharmaceuticals Inc.

  公开号：EP3889138A1

  公开（公告）日：2021-10-06

  Provided are a histone acetylase p300 inhibitor and a use thereof, belonging to the filed of medicinal chemistry technology. A compound represented by formula (I), or a stereochemical isomer thereof, or a solvate thereof, or a pharmaceutically acceptable salt thereof, can inhibit the activity of histone acetylase p300 and inhibit the proliferation activity of a variety of tumor cells.

  本发明提供了一种组蛋白乙酰化酶p300抑制剂及其用途，属于药物化学技术领域。一种由式（I）代表的化合物，或其立体化学异构体，或其溶液，或其药学上可接受的盐，可以抑制组蛋白乙酰化酶 p300 的活性，抑制多种肿瘤细胞的增殖活性。
• US8114986B2
  申请人：——

  公开号：US8114986B2

  公开（公告）日：2012-02-14