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ZJ24 | 1092539-87-1

中文名称
——
中文别名
——
英文名称
ZJ24
英文别名
[3H]-ZJ24;(S)-2-(3-((R)-1-carboxy-2-methylthioethyl)ureido)pentanedioic acid;DCMC;N-{[(1r)-1-Carboxy-2-(Methylsulfanyl)ethyl]carbamoyl}-L-Glutamic Acid;(2S)-2-[[(1R)-1-carboxy-2-methylsulfanylethyl]carbamoylamino]pentanedioic acid
ZJ24化学式
CAS
1092539-87-1
化学式
C10H16N2O7S
mdl
——
分子量
308.312
InChiKey
AUSWZMPQDDVDBG-WDSKDSINSA-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):
    -0.9
  • 重原子数:
    20
  • 可旋转键数:
    9
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.6
  • 拓扑面积:
    178
  • 氢给体数:
    5
  • 氢受体数:
    8

反应信息

  • 作为产物:
    描述:
    (S)-bis(4-methoxybenzyl)-2-(3-((R)-1-(4-methoxybenzyloxy)-3-(methylthio)-1-oxopropan-2-yl)ureido)pentanedioate 在 苯甲醚三氟乙酸 作用下, 以79%的产率得到ZJ24
    参考文献:
    名称:
    Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
    摘要:
    Urea-based, low molecular weight ligands of glutamate carboxypeptidase II (GCPII) have demonstrated efficacy in various models of neurological disorders and can serve as imaging agents for prostate cancer. To enhance further development of such compounds, we determined X-ray structures of four complexes between human GCPII and urea-based inhibitors at high resolution. All ligands demonstrate an invariant glutarate moiety within the S1' pocket of the enzyme. The ureido linkage between P1 and P1' inhibitor sites interacts with the active-site Zn(1)(2+) ion and the side chains of Tyr552 and His553. Interactions within the S1 pocket are defined primarily by a network of hydrogen bonds between the P1 carboxylate group of the inhibitors and the side chains of Arg534, Arg536, and Asn519. Importantly, we have identified a hydrophobic pocket accessory to the S1 site that can be exploited for structure-based design of novel GCPII inhibitors with increased lipophilicity.
    DOI:
    10.1021/jm800765e
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文献信息

  • [EN] UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY<br/>[FR] INHIBITEURS DE L'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROSTATE (PSMA) À BASE D'URÉE, POUR IMAGERIE ET TRAITEMENT THÉRAPEUTIQUE
    申请人:FIVE ELEVEN PHARMA INC
    公开号:WO2017116994A1
    公开(公告)日:2017-07-06
    The present invention relates to compounds according to Formula I and Formula IV. These compounds display very good binding affinities to the PSMA binding sites. They can be labeled with [68Ga]GaCl3 with high yields and excellent radiochemical purity. The present invention also relates to pharmaceutical compositions comprising a pharmaceutical acceptable carrier and a compound of Formula I or Formula IV, or a pharmaceutically acceptable salt thereof.
    本发明涉及符合式I和符合式IV的化合物。这些化合物显示出非常好的结合亲和力,能与PSMA结合位点结合。它们可以用[68Ga]GaCl3标记,产率高,放射化学纯度优秀。本发明还涉及包含药用可接受载体和符合式I或符合式IV的化合物,或其药用可接受盐的药物组合物。
  • PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS
    申请人:Graham Keith
    公开号:US20120328518A1
    公开(公告)日:2012-12-27
    This invention relates to novel compounds suitable for labelling by 18 F and the corresponding 18 F labelled compounds themselves, 19 F-fluorinated analogues thereof and their use as reference standards, methods of preparing such compounds, compositions comprising such compounds, kits comprising such compounds or compositions and uses of such compounds, compositions or kits for diagnostic imaging by positron emission tomography (PET).
    本发明涉及适用于18F标记的新化合物以及相应的18F标记化合物、19F-氟化类似物及其作为参考标准的用途,制备这些化合物的方法,包含这些化合物的组合物、包含这些化合物或组合物的试剂盒以及利用这些化合物、组合物或试剂盒进行正电子发射断层扫描(PET)诊断成像的用途。
  • UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY
    申请人:Five Eleven Pharma Inc.
    公开号:EP3397968B1
    公开(公告)日:2021-09-29
  • ENGINEERED CELLS EXPRESSING PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) OR A MODIFIED FORM THEREOF AND RELATED METHODS
    申请人:Juno Therapeutics, Inc.
    公开号:EP3607319A1
    公开(公告)日:2020-02-12
  • [EN] ENGINEERED CELLS EXPRESSING PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) OR A MODIFIED FORM THEREOF AND RELATED METHODS<br/>[FR] CELLULES GÉNÉTIQUEMENT MODIFIÉES EXPRIMANT UN ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROSTATE (PSMA) OU UNE FORME MODIFIÉE DE CELUI-CI ET PROCÉDÉS ASSOCIÉS
    申请人:JUNO THERAPEUTICS INC
    公开号:WO2018187791A1
    公开(公告)日:2018-10-11
    Provided are cells, such as engineered cells, that express a prostate-specific membrane antigen (PSMA) or a modified form thereof. In some embodiments, the cell further contains a genetically engineered recombinant receptor, such as a chimeric antigen receptor, that specifically binds to an antigen. The present disclosure also provides methods of detecting, identifying, selecting or targeting cells expressing PSMA, such as in connection with administration of such cells to subjects, including methods of adoptive cell therapy, or in connection with methods of manufacturing engineered cells.
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