4-(1-Pyrrolidinyl)-2(1H)-pyrimidinone | 29840-48-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(1-Pyrrolidinyl)-2(1H)-pyrimidinone
• 英文别名: 4-(Pyrrolidin-1-yl)pyrimidin-2(1h)-one；6-pyrrolidin-1-yl-1H-pyrimidin-2-one
• CAS: 29840-48-0
• 化学式: C₈H₁₁N₃O
• 分子量: 165.195
• InChiKey: JSYJNYCETHTOPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(1-Pyrrolidinyl)-2(1H)-pyrimidinone 在 氧气 、 臭氧 作用下， 以 水 为溶剂， 以18%的产率得到1-Formyl-5-hydroxy-4-pyrrolidinyl-1H-imidazol-2(5H)-one
  参考文献：
  名称：

  Ozonolyses of cytosines and guanine

  摘要：

  DOI：

  10.1021/jo00016a038
• 作为产物：
  描述：

  四氢吡咯 、 4-乙氧基-2(1H)-嘧啶酮 以 乙醇 为溶剂， 反应 5.0h， 生成 4-(1-Pyrrolidinyl)-2(1H)-pyrimidinone
  参考文献：
  名称：

  Ozonolyses of cytosines and guanine

  摘要：

  DOI：

  10.1021/jo00016a038

文献信息

• 13C and15N NMR chemical shift assignments ofN-1-(2- azidoethyl)-4-R-pyrimidin-2-ones by1H,X HMQ(B)C withz-gradient selection
  作者：Erkki Kolehmainen、Kari Lappalainen、David Šaman、Antonin Holý、Jaroslav Günter

  DOI：10.1002/(sici)1097-458x(199806)36:6<442::aid-omr314>3.0.co;2-g

  日期：1998.6

  C-13 and N-15 NMR chemical shift assignments based on z-gradient selected H-1,X (X = C-13 and N-15) HMQC and NMBC experiments are reported for N-1-(2-azidoethyl)pyrimidin-2-one (ring system of cytosine), its five 4-R derivatives [where R = NH2, OCH3, N(CH2)(4), NHCH2CH(CH3)(2) and N(CH3)(2)] and 2-azidoethyl tosylate. The possibilities of detecting all nitrogens in these molecules containing (i) an azido group at N-1 and (ii) an electronegative substituent at C-4 are limited. First, the terminal nitrogen of the azido group is difficult to observe because the nearest proton (in a CH2 group) is located four bonds away from it. Second, in contrast to N-1, N-3 in N-1-(2-azido-ethyl)-4-pyrimidin-2-ones remained undetected. For that reason, an unsubstituted derivative (R = H) was also prepared, where N-3 was easily observed. (C) 1998 John Wiley & Sons, Ltd.
• Inhibitors for de novo-RNA polymerases and methods of identifying targets for same
  申请人：——

  公开号：US20030187000A1

  公开（公告）日：2003-10-02

  A polymerase inhibitor has first moiety coupled to a second moiety via an optional linker in which the first moiety binds to an initiation nucleotide binding site of a polymerase and forms at least two hydrogen bonds with an RNA template strand that is associated with the polymerase, and in which the second moiety comprised a compound that binds to a site proximal to the nucleotide binding site of the polymerase and thereby increases the affinity of the polymerase inhibitor to the polymerase.
• US6906190B2
  申请人：——

  公开号：US6906190B2

  公开（公告）日：2005-06-14
• [EN] NUCLEOSIDE ANALOG LIBRARIES AND COMPOUNDS<br/>[FR] COMPOSES ET BIBLIOTHEQUES D'ANALOGUES DE NUCLEOSIDES
  申请人：——

  公开号：WO2003051897B1

  公开（公告）日：2003-08-21

  [EN] Nucleoside analog libraries are prepared in a combinatorial library approach. In some preferred aspects, diverse heterocyclic bases and/or diverse nucleoside substituents are prepared using solid phase-coupled nucleosides in a series of at least two modification reactions. Particularly preferred compounds include various pyrazolopyrimidine, pyrrolidinopyrimidinone, and benzimidazole nucleoside analogs generated using contemplated libraries, which may be useful in the treatment of various conditions, particularly viral infections and neoplastic diseases.
  [FR] L'invention porte sur des bibliothèques d'analogues de nucléosides qui sont préparées selon une méthode de bibliothèque combinatoire. Selon des variantes préférées, on prépare différentes bases hétérocycliques et/ou différents substituants de nucléosides en utilisant des nucléosides coulés en phase solide dans une série d'au moins deux réactions de modification. Des composés particulièrement préférés comprennent différents analogues de pyrazolopyrimidine, pyrrolidinopyrimidinone et de nucléosides benzimidazole générés au moyen des bibliothèques décrites, et qui peuvent être utiles dans le traitement de divers états, notamment des infections virales et des maladies néoplasiques.
• Ozonolyses of cytosines and guanine
  作者：Masaki Matsui、Hiroyuki Nakazumi、Katsuyoshi Shibata、Hiroshige Muramatsu

  DOI：10.1021/jo00016a038

  日期：1991.8