2-Acetamido-4-oxobutanoic acid | 529497-48-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Acetamido-4-oxobutanoic acid
• CAS: 529497-48-1
• 化学式: C₆H₉NO₄
• 分子量: 159.14
• InChiKey: RTPIPGUAJMIOCH-UHFFFAOYSA-N

物化性质

• 沸点：
  429.9±40.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.5
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• HETERODIMERS OF GLUTAMIC ACID
  申请人：Babich John W.

  公开号：US20120208988A1

  公开（公告）日：2012-08-16

  Compounds of Formula (Ia) wherein R is a C 6 -C 12 substituted or unsubstituted aryl, a C 6 -C 12 substituted or unsubstituted heteroaryl, a C 1 -C 6 substituted or unsubstituted alkyl or —NR′R′, Q is C(O), O, NR′, S, S(O) 2 , C(O) 2 (CH2)p Y is C(O), O, NR′, S, S(O) 2 , C(O) 2 (CH2)p Z is H or C 1 -C 4 alkyl, R′ is H, C(O), S(O) 2 , C(O) 2 , a C 6 -C 12 substituted or unsubstituted aryl, a C 6 -C 12 substituted or unsubstituted heteroaryl or a C 1 -C 6 substituted or unsubstituted alkyl, when substituted, aryl, heteroaryl and alkyl are substituted with halogen, C 6 -C 12 heteroaryl, —NR′R′ or COOZ, which have diagnostic and therapeutic properties, such as the treatment and management of prostate cancer and other diseases related to NAALADase inhibition. Radiolabels can be incorporated into the structure through a variety of prosthetic groups attached at the X amino acid side chain via a carbon or hetero atom linkage.

  化合物公式(Ia)，其中R是C6-C12取代或未取代的芳基，C6-C12取代或未取代的杂环芳基，C1-C6取代或未取代的烷基或-NR' R'，Q是C(O)、O、NR'、S、S(O)2、C(O)2(CH2)p，Y是C(O)、O、NR'、S、S(O)2、C(O)2(CH2)p，Z是H或C1-C4烷基，R'是H、C(O)、S(O)2、C(O)2、C6-C12取代或未取代的芳基、C6-C12取代或未取代的杂环芳基或C1-C6取代或未取代的烷基，当芳基、杂环芳基和烷基取代时，取代基是卤素、C6-C12杂环芳基、-NR' R'或COOZ。这些化合物具有诊断和治疗特性，例如治疗和管理前列腺癌和其他与NAALADase抑制有关的疾病。放射性标记可以通过连接在X氨基酸侧链上的碳或杂原子键合的各种假体基团被纳入结构中。
• PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING
  申请人：Low Philip Stewart

  公开号：US20110288152A1

  公开（公告）日：2011-11-24

  Described herein are prostate specific membrane antigen (PSMA) binding conjugates that are useful for targeting prostate cancer cells. Also described herein are compositions containing them and methods of using the conjugates and compositions. Also described are processes for manufacture of the conjugates and the compositions containing them.
• Compounds for Positron Emission Tomography
  申请人：ENDOCYTE, INC.

  公开号：US20160287731A1

  公开（公告）日：2016-10-06

  Described herein are compounds, compositions, and methods for diagnosing and/or monitoring pathogenic disease using positron emission tomography. Also described are conjugates of the formula B-L-P, wherein B is a radical of a targeting agent selected from vitamin receptor binding ligands (such as folate), PSMA binding ligands, or PSMA inhibitors; L is a divalent linker comprising aspartic acid, lysine, or arginine, and P is a radical of an imaging agent or radiotherapy agent, such as a radionuclide or radionuclide containing group, or a radical of a compound capable of binding a radionuclide, such as a metal chelating group.