2-[[3-(4-羟基苯基)-2-(3-甲基丁酰基氨基)丙酰]氨基]-N-[1-(4-羟基苯基)-3-氧代丙烷-2-基]-4-甲基戊酰胺 | 121024-51-9

• 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
• 中文名称: 2-[[3-(4-羟基苯基)-2-(3-甲基丁酰基氨基)丙酰]氨基]-N-[1-(4-羟基苯基)-3-氧代丙烷-2-基]-4-甲基戊酰胺
• 英文名称: Tyrostatin
• 英文别名: 2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
• CAS: 121024-51-9
• 化学式: C₂₉H₃₉N₃O₆
• 分子量: 525.6
• InChiKey: FWNXEHQYIWGYHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  145
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES
  申请人：Molecular Insight Pharmaceuticals, Inc.

  公开号：EP2061518A2

  公开（公告）日：2009-05-27
• RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES
  申请人：Babich J. W.

  公开号：US20080213172A1

  公开（公告）日：2008-09-04

  Conjugates, methods and kits are described for imaging tissues and organs that express one or more peptidases. In a preferred embodiment of the invention, a series of di-(2-pyridylmethyl)amine (D) ligands, which can bind M(CO) 3 + [M=Tc or Re], were coupled to lisinopril (L). Aliphatic tethers with varying number of methylene groups (3, 4, 5, and 7; D(C 4 )L, D(C 5 )L, D(C 6 )L, and D(C 8 )L, respectively) were utilized, with in vitro inhibitory activity increasing with increasing number of methylene groups. The D(C 8 )L conjugate was observed to be significantly more potent than D(C 4 )L. In vivo specificity for ACE was studied in both tissue distribution and gamma imaging studies, demonstrating localization in tissues with high ACE content. Localization was blocked by pretreatment with lisinopril.
• [EN] RADIOIMAGING MOIETIES COUPLED TO PEPTIDASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES<br/>[FR] FRAGMENTS DE RADIO-IMAGERIE COUPLÉS À DES FRAGMENTS DE LIAISON AUX PEPTIDASES PERMETTANT D'IMAGER DES TISSUS ET DES ORGANES EXPRIMANT DES PEPTIDASES
  申请人：MOLECULAR INSIGHT PHARM INC

  公开号：WO2008028000A2

  公开（公告）日：2008-03-06

  [EN] Conjugates, methods and kits are described for imaging tissues and organs that express one or more peptidases. In a preferred embodiment of the invention, a series of di-(2-pyridylmethyl)amine (D) ligands, which can bind M(CO)₃ ⁺
  [FR] La présente invention concerne des conjugués, des procédés et des trousses permettant d'imager des tissus et des organes exprimant une ou plusieurs peptidases. Dans un mode de réalisation préféré de cette invention, une série de ligands de di-(2-pyridylméthyl)amine (D), qui peuvent lier M(CO)₃ ⁺