8-Ethyl-1,7-dihydropurin-6-one | 729589-38-2

• 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: 8-Ethyl-1,7-dihydropurin-6-one
• 英文别名: 8-ethyl-1,7-dihydropurin-6-one
• CAS: 729589-38-2
• 化学式: C₇H₈N₄O
• mdl: MFCD21336359
• 分子量: 164.167
• InChiKey: APORLFLUGRLJBM-UHFFFAOYSA-N

物化性质

• 沸点：
  492.2±37.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-Ethyl-1,7-dihydropurin-6-one 在 三氯氧磷 作用下， 生成 6-氯-8-乙基-9H-嘌呤
  参考文献：
  名称：

  Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors

  摘要：

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.006
• 作为产物：
  描述：

  4,5-二氨基-6-羟基嘧啶 、 原丙酸三乙酯 在 乙基磺酸 、 盐酸 作用下， 生成 8-Ethyl-1,7-dihydropurin-6-one
  参考文献：
  名称：

  Structure-based design, synthesis, and antimicrobial activity of purine derived SAH/MTA nucleosidase inhibitors

  摘要：

  The structure-based design, synthesis, and biological activity of novel inhibitors of S-adenosyl homocysteine/methylthioadenosine (SAH/MTA) nucleosidase are described. Using 6-substituted purine and deaza purines as the core scaffolds, a systematic and structure guided series of modifications provided low nM inhibitors with broad-spectrum antimicrobial activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.006

文献信息

• Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1)
  申请人：Bayliss Tracy

  公开号：US20070135454A1

  公开（公告）日：2007-06-14

  Compounds of formula (I); which are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

  化合物的公式（I）；这些化合物在治疗疼痛和其他通过调节vanilloid-1受体（VR1）功能改善的情况中尤其有用，可以用作治疗化合物。
• 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1)
  申请人：Brown Rebecca Elizabeth

  公开号：US20090298856A1

  公开（公告）日：2009-12-03

  The use of a compound of formula (I): for the manufacture of a medicament for the treatment of conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1, also known as TRPV1).

  使用化合物(I)的制剂，用于制造治疗通过调节vanilloid-1受体（VR1，又称TRPV1）功能改善的疾病的药物。
• 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists
  申请人：Bayliss Tracy

  公开号：US20110152242A1

  公开（公告）日：2011-06-23

  A compound of formula (I), wherein W is formula (1); A is a benzene ring, a fÊve-membered heteroaromatic ring containing 1, 2 or 3 heteroatoms independently chosen from O, N and S, providing that no more than one O or S atom is present, or a six-membered heteroaromatic ring containing 1, 2 or 3 N atoms; n is zero, one, two or three; when n is zero or one, V is CH 2 ; when n is two or three, V is CH 2 , O or NR 5 ; when V is CH2, the bond formed by V and an adjacent carbon ring atom is optionally fused to a phenyl ring, a five-membered heteroaromatic ring containing 1, 2 or 3 heteroatoms independently chosen from O, N and S, providing that no more than one O or S is present, or a six-membered heteroaromatic ring containing 1, 2 or 3 N atoms; the ring being optionally substituted by one or more R 1 groups; and R 7 and R 8 are independently hydrogen, hydroxy, halogen or C 1-4 alkyl; Z is a phenyl ring, a five-membered heteroaromatic ring containing one, two, three or four heteroatoms independently chosen from O, N or S, at most one heteroatom being O or S, or a six-membered heteroaromatic ring containing one, two or three N atoms, optionally substituted by one or more groups chosen from halogen, hydroxy, cyano, nitro, NR 2 R 3 or S(O) r NR 2 R 3 where NR 2 R 3 is as defined above, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, haloC 1-6 alkyl, C 1-6 alkoxy, haloC 1-6 alkoxy, C 1-6 alkylthio, haloC 1-6 alkylthio, C 3-7 cycloalkyl, hydroxyC 1-6 alkyl, a five-membered heteroaromatic ring containing 1, 2 or 3 heteroatoms independently chosen from O, N and S, providing that no more than one O or S atom is present, or a six-membered heteroaromatic ring containing 1, 2 or 3 N atoms; or a pharmaceutically acceptable salt or N-oxide thereof; pharmaceutical compositions comprising them; the compounds for use in methods of treatment; and use of the compounds for manufacturing medicaments for treating pain as VR1 antagonists, including conditions such as depression, GERD, itch and urinary incontinence.

  化合物的公式为(I)，其中W的公式为(1)；A是苯环、含有1、2或3个杂原子（独立地选择O、N和S），但不超过1个O或S原子的五元杂环芳香环，或含有1、2或3个N原子的六元杂环芳香环；n为零、一、二或三；当n为零或一时，V为CH2；当n为二或三时，V为CH2、O或NR5；当V为CH2时，由V和相邻的碳环原子形成的键可选择地与苯环、含有1、2或3个杂原子（独立地选择O、N和S），但不超过1个O或S的五元杂环芳香环，或含有1、2或3个N原子的六元杂环芳香环融合；该环可选择地被一个或多个R1基取代；R7和R8独立地为氢、羟基、卤素或C1-4烷基；Z为苯环、含有1、2、3或4个杂原子（独立地选择O、N或S，最多一个杂原子为O或S）的五元杂环芳香环，或含有1、2或3个N原子的六元杂环芳香环，可选择地被一个或多个从卤素、羟基、氰基、硝基、NR2R3或S(O)rNR2R3（其中NR2R3如上所定义）、C1-6烷基、C2-6烯基、C2-6炔基、卤代C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、C1-6烷基硫基、卤代C1-6烷基硫基、C3-7环烷基、羟基C1-6烷基、含有1、2或3个杂原子（独立地选择O、N和S），但不超过1个O或S原子的五元杂环芳香环，或含有1、2或3个N原子的六元杂环芳香环取代的基团选择地取代；或其药学上可接受的盐或N-氧化物；包含它们的制药组合物；该化合物用于治疗的方法；以及将该化合物用于制造用于治疗疼痛的药物，作为VR1拮抗剂，包括抑郁症、GERD、瘙痒和尿失禁等情况。
• CONVERTIBLE ADAPTERS
  申请人：Technische Hochschule Wildau

  公开号：EP3510170B1

  公开（公告）日：2021-10-13
• [EN] CONVERTIBLE ADAPTERS<br/>[FR] ADAPTATEURS CONVERTIBLES
  申请人：TECHNISCHE HOCHSCHULE WILDAU

  公开号：WO2018046752A1

  公开（公告）日：2018-03-15

  The invention relates to a method and a kit comprising single or at least partially double-stranded adapters comprising sequences with base modifications that are ligated to nucleic acid fragments and converted to generate asymmetric ends for specific recognition. The method is based on two main sequence conversion mechanisms, a direct conversion of specific bases and an indirect conversion by copying, wherein both mechanisms may be combined.