3-(benzylhydroxyphosphinyl)-3-ethyl-3-propyl-2-cyclohexyl propanoic acid | 216777-88-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: 3-(benzylhydroxyphosphinyl)-3-ethyl-3-propyl-2-cyclohexyl propanoic acid
• 英文别名: 3-[Benzyl(hydroxy)phosphoryl]-2-cyclohexyl-3-ethylhexanoic acid
• CAS: 216777-88-7
• 化学式: C₂₁H₃₃O₄P
• 分子量: 380.464
• InChiKey: FSZRSVXSMZOFAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• INHIBITORS OF NAALADASE ENZYME ACTIVITY
  申请人：GUILFORD PHARMACEUTICALS INC.

  公开号：EP0994707A1

  公开（公告）日：2000-04-26
• EP0994707A4
  申请人：——

  公开号：EP0994707A4

  公开（公告）日：2001-11-14
• Compounds which bind PSMA and uses thereof
  申请人：Heston Warren D.W.

  公开号：US20080311037A1

  公开（公告）日：2008-12-18

  A compound is represented by Structural Formula A1: C—B-L-A  A1 or a pharmaceutically acceptable salt or solvate thereof. A is a prostate specific membrane antigen (PSMA) ligand; L is an optionally substituted aliphatic or heteroaliphatic linking group; B includes at least one optionally substituted moiety selected from the group consisting of a sugar, a charged group, an aryl ring, and a heteroaryl ring, wherein B optionally includes a drug or a labeling agent; and C is H, a drug, or a labeling agent, wherein CB together comprises the drug or the labeling agent. The compounds are useful as PSMA agents and in pharmaceutical compositions, methods for treating and detecting diseases such as cancer in a subject, methods for identifying cancer cells in a sample, methods for inhibiting tumor neovascularization, methods for identifying drugs that can treat cancer, and the like.
• US6025345A
  申请人：——

  公开号：US6025345A

  公开（公告）日：2000-02-15
• [EN] INHIBITORS OF NAALADASE ENZYME ACTIVITY<br/>[FR] INHIBITEURS DE L'ACTIVITE ENZYMATIQUE DE NAALADASE
  申请人：GUILFORD PHARMACEUTICALS INC.

  公开号：WO1998053812A1

  公开（公告）日：1998-12-03

  (EN) The present disclosure relates to dipeptidase inhibitors, and more particularly, to novel methods of using phosphonate derivatives, hydroxyphosphinyl derivatives, and phosphoramidate derivatives to inhibit N-Acetylated $g(a)-Linked Acidic Dipeptidase (NAALADase) enzyme activity, and to treat prostate diseases, especially using the compounds of the present invention for the inhibition of the growth of prostate cancer cells.(FR) La présente invention porte sur des inhibiteurs de dipeptidase, et plus spécifiquement, sur de nouveaux procédés d'utilisation de dérivés de phosphonate, d'hydroxyphosphinyle et de phosphoramidate pour inhiber l'activité enzymatique acidifiante de dipeptidase (NAALADase), et pour traiter les maladies de la prostate, notamment à l'aide des composés de la présente invention qui permettent d'inhiber la prolifération des cellules cancéreuses dans la prostate.