N-acetylaspartylglutamic acid

• 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: N-acetylaspartylglutamic acid
• 英文别名: N-Acetyl-1-aspartylglutamic acid；2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
• 化学式: C₁₁H₁₆N₂O₈
• 分子量: 304.257
• InChiKey: OPVPGKGADVGKTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  170
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494999A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医疗用途。
• GLYCOSYLATED PSMA INHIBITORS FOR IMAGING AND ENDORADIOTHERAPY
  申请人：Technische Universität München

  公开号：EP3494998A1

  公开（公告）日：2019-06-12

  The present disclosure relates to imaging and endoradiotherapy of diseases involving prostate-specific membrane antigen (PSMA). Provided are compounds which bind or inhibit PSMA and furthermore carry at least one moiety which is amenable to radiolabeling. Provided are also medical uses of such compounds.

  本公开涉及涉及前列腺特异性膜抗原（PSMA）相关疾病的成像和内放射治疗。提供了结合或抑制PSMA并且携带至少一个适合于放射标记的基团的化合物。还提供了这类化合物的医学用途。
• HETERODIMERS OF GLUTAMIC ACID
  申请人：Babich John W.

  公开号：US20080193381A1

  公开（公告）日：2008-08-14

  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.

  化合物的化学式（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（ ）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，当取代时，芳基，杂环芳基和烷基取代为卤素，C6-C12杂环芳基，-NR′R′或COOZ，具有诊断和治疗特性，如治疗和管理前列腺癌和其他与NAALADase抑制相关的疾病。放射性标记可以通过连接到X氨基酸侧链的多种假体基团结构中。
• [EN] RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS<br/>[FR] INHIBITEURS RADIOMARQUÉS D'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROSTATE
  申请人：MOLECULAR INSIGHT PHARM INC

  公开号：WO2013022797A1

  公开（公告）日：2013-02-14

  Compounds according to Formula I and Formula II are potent inhibitors of PSMA activity: The invention also provides pharmaceutical compositions of a complex of a radionuclide and a Formula I compound or a Formula II compound and methods of using the radionuclide complex of a Formula I compound or a Formula II compound for treating or diagnosis of a disease or a condition associated with PSMA activity.

  根据公式I和公式II合成物是PSMA活性的有效抑制剂：本发明还提供了一个放射性核素和公式I化合物或公式II化合物的复合物的药物组合物，以及使用公式I化合物或公式II化合物的放射性核素复合物用于治疗或诊断与PSMA活性相关的疾病或病况的方法。
• [EN] NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER<br/>[FR] NOUVEAUX COMPOSÉS DE LIAISON DE RADIOMÉTAUX POUR LE DIAGNOSTIC OU LE TRAITEMENT DU CANCER EXPRIMANT UN ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE DE LA PROSTATE
  申请人：BRITISH COLUMBIA CANCER AGENCY BRANCH

  公开号：WO2019075583A1

  公开（公告）日：2019-04-25

  This application relates to compounds of Formula (I-a) or Formula (I-b), or is salts or solvates thereof. R1 is -(CH2)5CH3 or comprises 2-4 fused benzene rings. R2 is I, Br, F, Cl, H, OH, OCH3, NH2, NO2 or CH3. R3 is a peptide-bonded glycine, aspartate or glutamate or is glutamate peptide bonded through Cdelta. L is –CH2NH–, –(CH2)2NH–, –(CH2)3NH–, or –(CH2)4NH–. R4 is a radiometal chelator optionally bound by a radiometal. Variable 'n' is 1-3. The compounds may be useful for imaging prostate specific membrane antigen (PSMA)-expressing tissues or for treating PSMA-expressing diseases (e.g. cancer).

  该应用涉及到Formula (I-a)或Formula (I-b)的化合物，或其盐或溶剂化合物。R1为-(CH2)5 或包含2-4个融合苯环。R2为I、Br、F、Cl、H、OH、O 、NH2、NO2或CH3。R3为肽键的甘氨酸、天冬酰胺或谷氨酸，或通过Cdelta连接的谷氨酸肽键。L为- NH-、-( )2NH-、-( )3NH-或-( )4NH-。R4为可选择地与放射金属结合的放射金属螯合剂。变量'n'为1-3。这些化合物可能用于成像前列腺特异性膜抗原（PSMA）表达组织或治疗PSMA表达疾病（例如癌症）。