2,2-dimethyl-4,15-dioxo-3,8,11-trioxa-5,14-diazaoctadecan-18-oic acid | 749248-72-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-dimethyl-4,15-dioxo-3,8,11-trioxa-5,14-diazaoctadecan-18-oic acid
• 英文别名: N-{2-[2-(2-tert-butoxycarbonylamino-ethoxy)-ethoxy]-ethyl}-succinamic acid；4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
• CAS: 749248-72-4
• 化学式: C₁₅H₂₈N₂O₇
• 分子量: 348.397
• InChiKey: IWLBNYLMTXADMB-UHFFFAOYSA-N

物化性质

• 沸点：
  581.2±50.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-4,15-dioxo-3,8,11-trioxa-5,14-diazaoctadecan-18-oic acid 在 N-羟基-7-氮杂苯并三氮唑 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 31.0h， 生成 2-[6-(dimethylamino)-3-(dimethylimino)-3H-xanthen-9-yl]-5-({5-[(2-{2-[2-(3-{[2-(4-methoxyphenyl)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]carbamoyl}propanamido)ethoxy]ethoxy}ethyl)carbamoyl]pentyl}carbamoyl)benzoate
  参考文献：
  名称：

  Highly Potent and Selective Fluorescent Antagonists of the Human Adenosine A₃ Receptor Based on the 1,2,4-Triazolo[4,3-a]quinoxalin-1-one Scaffold

  摘要：

  The adenosine-A(3) receptor (A(3)AR) is a G protein-coupled receptor that shows promise as a therapeutic target for cancer, glaucoma, and various autoimmune inflammatory disorders, and as such, there is a need for molecular probes to study this receptor. Here, we report a series of fluorescent ligands containing different linkers and fluorophores based around a 1,2,4-triazolo[4,3-a]quinoxalin-1-one antagonist. One of these conjugates (19) displayed high affinity for the A(3)AR (pK(D) = 9.36 +/- 0.12) and is >650-fold selective over other adenosine receptor subtypes. Confocal microscopy revealed clear, displaceable membrane labeling of CHO-A(3) cells with 19, with no detectable labeling of CHO-A(1) cells under identical conditions. This fluorescent ligand was also able to specifically label the A(3)AR in HEK293T cells containing a mixed adenosine receptor population. The subtype specificity, along with its excellent imaging properties, make 19 an ideal tool for studying A(3)AR distribution and organization, particularly in the presence of other adenosine receptor subtypes.

  DOI：

  10.1021/jm201722y
• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 2,2-dimethyl-4,15-dioxo-3,8,11-trioxa-5,14-diazaoctadecan-18-oic acid
  参考文献：
  名称：

  双发色染料，用于染料-蛋白质氟模块的波长转换†

  摘要：

  染料蛋白质的荧光模块由荧光染料和单链抗体片段组成，它们形成明亮的荧光非共价复合物。该报告描述了两种新的双色性染料，它们扩展了现有荧光模块的激发或发射波长范围。在一种情况下，将荧光噻唑橙（TO）连接到能量受体染料Cy5上。结合识别TO的蛋白质后，由于从TO到Cy5的有效能量转移，红色发射取代了结合到同一蛋白质的单色TO所观察到的绿色发射。单独地，TO连接到作为能量供体的香豆素上。香豆素-TO和与蛋白质结合的TO观察到相同的绿色发射，但是有效的能量转移允许香豆素-TO的紫色激发，而更长的波长，单色TO的蓝色激发。两种双色团各自的蛋白质均显示出较低的纳摩尔K D值，> 95％的能量转移效率和较高的荧光量子产率。

  DOI：

  10.1039/c4ob02522a

文献信息

• [EN] COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF<br/>[FR] COMPOSÉS INDUISANT LA DÉGRADATION DE PROTÉINES ANTI-APOPTOTIQUES DE LA FAMILLE BCL-2 ET UTILISATION DE CES DERNIERS
  申请人：BIOVENTURES LLC

  公开号：WO2017184995A1

  公开（公告）日：2017-10-26

  The present disclosure provides compositions and methods for selectively killing senescent cells, wherein the composition comprises a compound of Formula (I) or a compound of Formula (II). The selective killing of senescent cells may delay aging and/or treat age-related disorders.

  本公开提供了一种用于选择性杀灭衰老细胞的组合物和方法，其中该组合物包括式(I)的化合物或式(II)的化合物。对衰老细胞的选择性杀灭可能延缓衰老和/或治疗与年龄相关的疾病。
• [EN] ECSTASY HAPTENS AND IMMUNOGENS<br/>[FR] HAPTENES ET MMUNOGENES CONTRE L'ECSTASY
  申请人：DADE BEHRING INC

  公开号：WO2005061482A1

  公开（公告）日：2005-07-07

  Methods, compositions and kits are disclosed. Enzyme conjugates of Formula (I) are employed in assays for the determination of an methylenedioxyamphetamine, a methylene-dioxyethamphetamine, and/or a methylenedioxymethamphetamine. Immunogenic conjugates of Formula I are employed to prepare antibodies for an methylenedioxyamphetamine, a methylenedioxyethamphetamine, and/or for a methylene- dioxymethamphetamine for use in assays for the determination of an methylenedioxyamphetamine, a methyl enedioxyethamphetamine, and/or a methylene-dioxymethamphetamine. The enzyme conjugates may also be employed to screen antibodies for use in such methods.

  方法、组合物和试剂盒已被披露。式（I）的酶结合物被用于测定甲基二氧苯丙胺、亚甲二氧乙胺和/或亚甲二氧甲基苯丙胺。式I的免疫原结合物被用于制备用于测定甲基二氧苯丙胺、亚甲二氧乙胺和/或亚甲二氧甲基苯丙胺的抗体，用于测定甲基二氧苯丙胺、亚甲二氧乙胺和/或亚甲二氧甲基苯丙胺的试剂盒。酶结合物也可用于筛选用于这些方法的抗体。
• Chromenopyrazole-based High Affinity, Selective Fluorescent Ligands for Cannabinoid Type 2 Receptor
  作者：Sameek Singh、Caitlin R. M. Oyagawa、Christa Macdonald、Natasha L. Grimsey、Michelle Glass、Andrea J. Vernall

  DOI：10.1021/acsmedchemlett.8b00597

  日期：2019.2.14

  Cannabinoid type 2 receptor (CB2R) is an attractive target for the treatment of pain and inflammatory disorders. Availability of a selective CB2R fluorescent ligand to study CB2R expression and localization in healthy and disease conditions would greatly contribute to improving our understanding of this receptor. Herein, we report a series of chromenopyrazole-based CB2R fluorescent ligands. The highest affinity

  大麻素2型受体（CB2R）是治疗疼痛和炎性疾病的诱人靶标。在健康和疾病条件下研究CB2R表达和定位的选择性CB2R荧光配体的可用性将大大有助于增进我们对该受体的了解。在本文中，我们报告了一系列基于色诺吡唑的CB2R荧光配体。最高亲和力的荧光配体是含Cy5的24（hCB2R pK i = 7.38±0.05），其选择性是CB1R的131倍。在cAMP BRET分析中，有24个是有效的CB2R反向激动剂。宽视场成像实验表明，在活细胞中24个与CB2R的结合具有良好的选择性和低水平的非特异性荧光。高亲和力，选择性，
• Synthesis and effect of linker length on guest-binding affinity of water-soluble tetraazacyclophane dimers
  作者：Osamu Hayashida、Koji Matsushita、Shuhei Kusano

  DOI：10.1007/s10847-016-0602-7

  日期：2016.4

  Cationic cyclophane dimers which are constructed with two tetraaza[6.1.6.1]para-cyclophanes and a short or long hydrophilic linker interposed between them were synthesized as a water-soluble host (1a and 1b, respectively). The binding constant (K) values of 1a having a short linkage with fluorescence guests such as 6-p-toluidinonaphthalene-2-sulfonate and 6-anilinonaphthalene-2-sulfonate were about 2-fold larger than those of 1b having a long one with the identical guests. Local concentration in the macrocycles of 1a was more effective than that of 1b for such enhancements of the guest-binding affinity. Moreover, the K values of cationic cyclophane dimer having a short hydrophobic linkage 1c were comparable to those by 1a, indicating that guest-binding affinity was less affected on the hydrophilic/hydrophobic characteristics of these short linkers.

  合成了由两个四氮杂[6.1.6.1]对环烷和插入它们之间的短或长亲水连接体构建的阳离子环烷二聚体作为水溶性主体（分别为1a和1b）。与荧光客体如6-对甲苯胺萘-2-磺酸酯和6-苯胺萘-2-磺酸酯具有短键的1a的结合常数(K)值比具有长键的1b大约2倍相同的客人。对于这种客体结合亲和力的增强，1a 大环中的局部浓度比 1b 更有效。此外，具有短疏水键1c的阳离子环烷二聚体的K值与1a相当，表明客体结合亲和力对这些短连接体的亲水/疏水特性影响较小。
• Insulin Derivatives
  申请人：Garibay Patrick William

  公开号：US20080171695A1

  公开（公告）日：2008-07-17

  The present invention is related to insulin derivatives having a side chain attached either to the α-amino group of the N-terminal amino acid residue of B chain or to an ε-amino group of a Lys residue present in the B chain of the parent insulin molecule via an amide bond which side chain comprises one or more residues of ethyleneglycol, propyleneglycol and/or butyleneglycol containing independently at each termini a group selected from —NH 2 and —COOH; a fatty diacid moiety with 4 to 22 carbon atoms, at least one free carboxylic acid group or a group which is negatively charged at neutral pH; and possible linkers which link the individual components in the side chain together via amide or ether bonds, said linkers optionally comprising a free carboxylic acid group.

  本发明涉及胰岛素衍生物，其侧链通过酰胺键连接到B链的N-末端氨基酸残基的α-氨基基团或存在于亚基B中的Lys残基的ε-氨基基团上，该侧链独立地包含一种或多种乙二醇，丙二醇和/或丁二醇残基，其在每个末端分别包含从—NH2和—COOH中选择的基团；一种含有4到22个碳原子的脂肪二酸基团，其中至少有一个自由羧酸基团或在中性pH下带负电的基团；以及可能的连接剂，通过酰胺或醚键将侧链中的各个组分连接在一起，其中连接剂可以包括一个自由羧酸基团。