(2-Amino-1-adamantyl) formate

• 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-Amino-1-adamantyl) formate
• 英文别名: (2-amino-1-adamantyl) formate
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.26
• InChiKey: MQKIAVKQZGJVRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Neurotensin receptor ligands
  申请人：3B Pharmaceuticals GmbH

  公开号：US10961199B2

  公开（公告）日：2021-03-30

  The present invention is related to a compound of formula (I) wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3-C5)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the formula (II) wherein ALK′ is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is selected from the group consisting of H and an Effector moiety; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及式(I)化合物 其中 R1 选自氢、甲基和环丙基甲基组成的组；AA-COOH 是选自 2-氨基-2-金刚烷羧酸、环己基甘氨酸和 9-氨基-双环[3.3.1]壬烷-9-羧酸组成的组的氨基酸；R2 选自(C1-C6)烷基、(C3-C8)环烷基、(C3-C5)环烷基组成的组。R2选自由(C1-C6)烷基、(C3-C8)环烷基、(C3-C5)环烷基甲基、卤素、硝基和三氟甲基组成的组；ALK为(C2-C5)亚烷基；R3、R4和R5各自独立地选自由氢和(C1-C4)烷基组成的组，但R3、R4和R5中的一个为式(II)，其中ALK′为(C2-C5)亚烷基；R6 选自由氢和（C1-C4）烷基组成的组；以及 R7 选自由 H 和效应分子组成的组；或其药理学上可接受的盐、溶液或水合物。
• NEUROTENSIN RECEPTOR LIGANDS
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2928870A1

  公开（公告）日：2015-10-14
• CONJUGATE COMPRISING A NEUROTENSIN RECEPTOR LIGAND AND USE THEREOF
  申请人：3B Pharmaceuticals GmbH

  公开号：EP3154638A1

  公开（公告）日：2017-04-19
• [EN] NEUROTENSIN RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RÉCEPTEURS DE LA NEUROTENSINE
  申请人：3B PHARMACEUTICALS GMBH

  公开号：WO2014086499A1

  公开（公告）日：2014-06-12

  The present invention is related to a compound of formula (I) wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3-C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the formula (II) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is selected from the group consisting of H and an Effector moiety; or a pharmacologically acceptable salt, solvate or hydrate thereof.
• [EN] CONJUGATE COMPRISING A NEUROTENSIN RECEPTOR LIGAND AND USE THEREOF<br/>[FR] CONJUGUÉ COMPRENANT UN LIGAND DE RÉCEPTEUR DE NEUROTENSINE ET SON UTILISATION
  申请人：3B PHARMACEUTICALS GMBH

  公开号：WO2015188934A1

  公开（公告）日：2015-12-17

  The present invention is related to a conjugate comprising a structure of general formula (1) [TM1] - [AD1] - [LM] - [AD2] - [TM2] (1), wherein TM1 is a first targeting moiety, wherein the first targeting moiety is capable of binding to a first target, AD1 is a first adapter moiety or is absent, LM is a linker moiety or is absent, AD2 is a second adapter moiety or is absent, and TM2 is a second targeting moiety, wherein the second targeting moiety is capable of binding to a second target; wherein the first targeting moiety and/or the second targeting moiety is a compound of formula (2): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2 adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9 carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK' is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (3) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is a bond; or a pharmacologically acceptable salt, solvate or hydrate thereof.