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(E)-2-Oxo-4-phenylpyrrolidine-3-carboxylic acid

中文名称
——
中文别名
——
英文名称
(E)-2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
英文别名
(3R*,4S*)-2-oxo-4-phenyl-pyrrolidine-3-carboxylic acid;2-oxo-4-phenyl-3-pyrrolidinecarboxylic acid;(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
(E)-2-Oxo-4-phenylpyrrolidine-3-carboxylic acid化学式
CAS
——
化学式
C11H11NO3
mdl
——
分子量
205.213
InChiKey
UOQRZCNCICUPJO-IUCAKERBSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.3
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.27
  • 拓扑面积:
    66.4
  • 氢给体数:
    2
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • [EN] NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS<br/>[FR] NOUVEAUX DÉRIVÉS THIO PORTANT DES LACTAMES EN TANT QU'INHIBITEURS PUISSANTS D'HDAC, ET LEURS UTILISATIONS EN TANT QUE MÉDICAMENTS
    申请人:SIGMA TAU IND FARMACEUTI
    公开号:WO2013041480A1
    公开(公告)日:2013-03-28
    The present invention relates to novel amide compounds of Formula (I), and their use as anti-tumoral and pro-apoptotic agents. The invention includes the use of such compounds in medicine, in relation to cancer disease as well as other diseases where an inhibition of HDAC is responsive, and the pharmaceutical composition containing such compounds.
    本发明涉及一种新型酰胺化合物(式I),以及其作为抗肿瘤和促凋亡剂的用途。该发明包括在医学上使用这些化合物,涉及癌症疾病以及其他需要抑制HDAC的疾病,以及含有这些化合物的药物组合物。
  • ST7612AA1, a Thioacetate-ω(γ-lactam carboxamide) Derivative Selected from a Novel Generation of Oral HDAC Inhibitors
    作者:Giuseppe Giannini、Loredana Vesci、Gianfranco Battistuzzi、Davide Vignola、Ferdinando M. Milazzo、Mario Berardino Guglielmi、Marcella Barbarino、Mosè Santaniello、Nicola Fantò、Marco Mor、Silvia Rivara、Daniele Pala、Maurizio Taddei、Claudio Pisano、Walter Cabri
    DOI:10.1021/jm5008209
    日期:2014.10.23
    A systematic study of medicinal chemistry aimed at identifying a new generation of HDAC inhibitors, through the introduction of a thiol zinc-binding group (ZBG) and of an amide-lactam in the ?-position of the polyethylene chain of the vorinostat scaffold, allowed the selection of a new class of potent pan-HDAC inhibitors (pan-HDACis). Simple, highly versatile, and efficient synthetic approaches were used to synthesize a library of these new derivatives, which were then submitted to a screening for HDAC inhibition as well as to a preliminary in vitro assessment of their antiproliferative activity. Molecular docking into HDAC crystal structures suggested a binding mode for these thiol derivatives consistent with the stereoselectivity observed upon insertion of amide-lactam substituents in the ?-position. ST7612AA1 (117), selected as a drug candidate for further development, showed an in vitro activity in the nanomolar range associated with a remarkable in vivo antitumor activity, highly competitive with the most potent HDAC inhibitors, currently under clinical trials. A preliminary study of PK and metabolism is also illustrated.
  • Asymmetric Cyanation of Activated Olefins with Ethyl Cyanoformate Catalyzed by a Modular Titanium Catalyst
    作者:Jun Wang、Wei Li、Yanling Liu、Yangyang Chu、Lili Lin、Xiaohua Liu、Xiaoming Feng
    DOI:10.1021/ol100169r
    日期:2010.3.19
    Asymmetric cyanation of a class of easily available olefins with a favorable cyanide source ethyl cyanoformate (CNCOOEt) was realized by an interesting modular catalyst. High yields and ee values were obtained for a range of substrates under solvent-free and mild reaction conditions. The products obtained could be easily transformed to the enantioenriched useful intermediates 5, 6, and pharmaceutically important gamma-aminobutyric acid 7.
  • Discovery of Potent and Selective Small-Molecule PAR-2 Agonists
    作者:Jimmi Gerner Seitzberg、Anne Eeg Knapp、Birgitte Winther Lund、Sine Mandrup Bertozzi、Erika A. Currier、Jian-Nong Ma、Vladimir Sherbukhin、Ethan S. Burstein、Roger Olsson
    DOI:10.1021/jm800754r
    日期:2008.9.25
    Proteinase activated receptor-2 plays a crucial role in a wide variety of conditions with a strong inflammatory component. We present the discovery and characterization of two structurally different, potent, selective, and metabolically stable small-molecule PAR-2 agonists. These ligands may be useful as pharmacological tools for elucidating the complex physiological role of the PAR-2 receptors as well as for the development of PAR-2 antagonists.
  • SOBOCINSKA M.; ZOBACHEVA M. M.; PEREKALIN V. V.; KUPRYSZEWSKI G., POL. J. CHEM., 1979, 53, NO 2, 435-44)S
    作者:SOBOCINSKA M.、 ZOBACHEVA M. M.、 PEREKALIN V. V.、 KUPRYSZEWSKI G.
    DOI:——
    日期:——
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