benzyl 11-aminoundecanoate | 139338-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 11-aminoundecanoate
• 英文别名: Phenylmethyl 11-aminoundecanoate
• CAS: 139338-81-1
• 化学式: C₁₈H₂₉NO₂
• 分子量: 291.434
• InChiKey: LNUIXOQRAVYACJ-UHFFFAOYSA-N

物化性质

• 沸点：
  396.8±15.0 °C(Predicted)
• 密度：
  0.989±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 11-aminoundecanoate 、 vancomycin aglycon 在 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Chemo-enzymatic transformations in sensitive systems: Lipase mediated hydrolysis of vancomycin esters

  摘要：

  Recently, an interest in the development of new vancomycin derivatives has been demonstrated. Here, the feasibility of using lipases, particularly those from Pseudomonas sp., for the hydrolysis of vancomycin alkyl esters is demonstrated. Benzyl ester derivatives were more easily cleavable than methyl ester derivatives, resulting in good yields of vancomycin acids without degradation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00109-7
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 benzyl 11-aminoundecanoate
  参考文献：
  名称：

  萘二酰亚胺基荧光有机纳米颗粒对脂肪酶的传感：溶剂诱导的自组装表现

  摘要：

  超分子自组装的精确控制对于跨科学领域的纳米结构的苛刻应用引起了极大的兴趣。这项研究描绘了萘二酰亚胺（NDI）衍生的两亲物在二甲基亚砜（DMSO）中变化的水的形态转化，并利用其聚集诱导发射（AIE）特性选择性地检测脂肪酶。为此，合成了基于NDI的苯甲醇保护的烷基链（C1，C5和C10）连接的两亲分子（NDI-1,2,3）。中合成的两亲物，苄基酯连接的C5定制萘二酰亚胺（NDI-2 ）显示出AIE具有发射最大值在490nm处的DMSO-水二元溶剂系统从˚F瓦特= 30％以上的水分含量。随着DMSO中水含量的增加，NDI-2的纤维形态在f w = 30％时逐渐转变为球形聚集颗粒，同时发射强度稳定增加。在˚F瓦特在DMSO = 99％水，观察到完全转化为荧光有机纳米颗粒（FONPs）。显微和光谱技术证明了溶剂驱动的形态转变和NDI-2的AIE特性。而且，这个NDI-2的AIEFONPs在选择性的关断用的检测10

  DOI：

  10.1039/d0sm02056g

文献信息

• [EN] A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS<br/>[FR] CONJUGUÉ D'UN AGENT CYTOTOXIQUE À UNE MOLÉCULE DE LIAISON CELLULAIRE AVEC DES LIEURS RAMIFIÉS
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2020257998A1

  公开（公告）日：2020-12-30

  Provided is a conjugation of cytotoxic drug to a cell-binding molecule with a side-chain linker. It provides side-chain linkage methods of making a conjugate of a cytotoxic molecule to a cell-binding ligand, as well as methods of using the conjugate in targeted treatment of cancer, infection and immunological disorders.

  提供了一种将细胞毒性药物与一个侧链连接分子结合的共轭物。它提供了制备细胞毒性分子与细胞结合配体的共轭物的侧链连接方法，以及在靶向治疗癌症、感染和免疫性疾病中使用该共轭物的方法。
• Inhibition of Inflammatory and Neuropathic Pain by Targeting a Mu Opioid Receptor/Chemokine Receptor5 Heteromer (MOR-CCR₅)
  作者：Eyup Akgün、Muhammad I. Javed、Mary M. Lunzer、Michael D. Powers、Yuk Y. Sham、Yoshikazu Watanabe、Philip S. Portoghese

  DOI：10.1021/acs.jmedchem.5b01245

  日期：2015.11.12

  Chemokine release promotes cross-talk between opioid and chemokine receptors that in part leads to reduced efficacy of morphine in the treatment of chronic pain. On the basis of the possibility that a MOR-CCR5 heteromer is involved in such cross-talk, we have synthesized bivalent ligands (MCC series) that contain mu opioid agonist and CCR5 antagonist pharmacophores linked through homologous spacers (14-24 atoms). When tested on lipopolysaccharide-inflamed mice, a member of the series (MCC22; 3e) with a 22-atom spacer exhibited profound antinociception (i.t. ED50 = 0.0146 pmol/mouse) that was 2000X greater than morphine. Moreover, MCC22 was similar to 3500X more potent than a mixture of mu agonist and CCR5 antagonist monovalent ligands. These data strongly suggest that MCC22 acts by bridging the protomers of a MOR-CCR5 heteromer having a TM5,6 interface. Molecular simulation studies are consistent with such bridging. This study supports the MOR-CCR5 heteromer as a novel target for the treatment of chronic pain.
• Spacer molecules in peptide sequences: incorporation into analogues of atrial natriuretic factor
  作者：Deradji Boumrah、Malcolm M. Campbell、Simon Fenner、Richard G. Kinsman

  DOI：10.1016/0040-4039(91)80578-t

  日期：1991.12

  The spacer reagents FmocHN(CH2CH2CH2)3CH2COOPfp (1b) and FmocHN(CH2CH2O)3CH2COOPfp (2d) have been prepared and used to substitute for tetra-residue sequences in the cyclic portion of Atrial Natriuretic Factor (ANF) by solid phase peptide assembly.
• A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS
  申请人：Hangzhou Dac Biotech Co., Ltd.

  公开号：EP3986463A1

  公开（公告）日：2022-04-27
• WO2022271806A1
  申请人：——

  公开号：WO2022271806A1

  公开（公告）日：2022-12-29