2-[4,8-Bis(carboxymethyl)-11-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic 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: 2-[4,8-Bis(carboxymethyl)-11-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
• 英文别名: 2-[4,8-bis(carboxymethyl)-11-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
• 化学式: C₁₈H₃₄N₄O₆
• 分子量: 402.5
• InChiKey: QMFMDLMUGVVPGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.8
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• PSMA-TARGETING COMPOUNDS AND USES THEREOF
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US20150104387A1

  公开（公告）日：2015-04-16

  Prostate-specific membrane antigen (PSMA) targeting compounds are described. Uses of the compounds for imaging, therapy, cell sorting, and tumor mapping are also described.

  本文描述了针对前列腺特异性膜抗原（PSMA）的靶向化合物，以及这些化合物在成像、治疗、细胞分选和肿瘤定位方面的应用。
• Urea-based peptide compounds useful for detecting inter alia prostate cancer
  申请人：The Johns Hopkins University

  公开号：EP2408755B1

  公开（公告）日：2017-05-03
• LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), THEIR USE AS IMAGING AGENTS AND PHARMACEUTICAL AGENTS FOR THE TREATMENT OF PSMA-EXPRESSING CANCERS
  申请人：Universität Heidelbert

  公开号：US20210393809A1

  公开（公告）日：2021-12-23

  The present invention relates to a compound of formula (1) (I), wherein Y 3 is O or S, wherein s, t, u and w are 0 or 1, wherein i is an integer of from 1 to 3, wherein j is an integer of from 3 to 5, and wherein Z 1 , Z 2 and Z 3 are selected from the group consisting of CO 2 H, —SO 2 H, —SO3H, —OSO3H, and -0P0 3 H 2 , R 1 is —CH 3 or H, X is selected from the group consisting of alkylaryl, aryl, alkylheteroaryl and heteroaryl, Y 1 and Y 2 are selected from the group consisting of aryl, alkylaryl, cycloalkyl, heterocycloalkyl, heteroaryl and alkylheteroaryl, and wherein A is a chelator residue having a structure selected from the group consisting of (la), (lb) and (lc), wherein R 2 , R 3 , R 4 and R 5 are selected from the group consisting of H, —CH 2 —COOH and —CH 2 —C(=0)-NH 2 or wherein R 2 and R 4 form a —(CH 2 ) n — bridge with n being an integer of from 1 to 3, wherein n is preferably 2, and wherein r, v and q are 0 or 1, with the proviso that in case u and w are 0, q and v are 0, and (A) wherein u and w are 1, or (B) wherein u is 0 and w is 1, and wherein A is selected from (la) or (lb), or (C) wherein A is not The compound is disclosed for use in the treatment of PSMA-expressing cancer.
• US9056841B2
  申请人：——

  公开号：US9056841B2

  公开（公告）日：2015-06-16
• US9776977B2
  申请人：——

  公开号：US9776977B2

  公开（公告）日：2017-10-03