1-bromo-3,6-dioxanonane | 113423-12-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-bromo-3,6-dioxanonane
• 英文别名: propyl-PEG2-bromide；1-[2-(2-bromoethoxy)ethoxy]propane
• CAS: 113423-12-4
• 化学式: C₇H₁₅BrO₂
• 分子量: 211.099
• InChiKey: JGWJDTGZWADKJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-3,6-dioxanonane 在 水 、 potassium carbonate 、 potassium iodide 、 lithium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 4-{2,3-difluoro-6-(3,6-dioxanonan-1-yloxyl)benzoyl}benzoic acid
  参考文献：
  名称：

  具有更高蛋白激酶G抑制活性的化合物及其 制备方法

  摘要：

  本发明公开了一类具有更高蛋白激酶G(PKG)抑制活性的式Ⅰ的化合物及其药学上可接受的盐，包含所述新化合物的药物组合物、以及所述新化合物在治疗疼痛、尤其是治疗慢性疼痛中应用。还公开了该化合物的制备方法及新的中间体。其中R1、R2相同或不同，选自由卤素(如，F或Cl)、C1‑C6的烷氧基、C1‑C6的烷基、C2‑C6的烯基和C2‑C6的炔基组成的组；R3为端基，选自由H、卤素、烷基、环烷基、烯基、炔基、芳基和杂芳基组成的组；n为重复单元数目，是0‑15的整数。

  公开号：

  CN105693520B
• 作为产物：
  描述：

  2-(2-丙氧乙氧基)乙醇 在 吡啶 、 lithium bromide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-bromo-3,6-dioxanonane
  参考文献：
  名称：

  具有更高蛋白激酶G抑制活性的化合物及其 制备方法

  摘要：

  本发明公开了一类具有更高蛋白激酶G(PKG)抑制活性的式Ⅰ的化合物及其药学上可接受的盐，包含所述新化合物的药物组合物、以及所述新化合物在治疗疼痛、尤其是治疗慢性疼痛中应用。还公开了该化合物的制备方法及新的中间体。其中R1、R2相同或不同，选自由卤素(如，F或Cl)、C1‑C6的烷氧基、C1‑C6的烷基、C2‑C6的烯基和C2‑C6的炔基组成的组；R3为端基，选自由H、卤素、烷基、环烷基、烯基、炔基、芳基和杂芳基组成的组；n为重复单元数目，是0‑15的整数。

  公开号：

  CN105693520B

文献信息

• Design, Synthesis, and Evaluation of 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic Acid Derived, Redox-Sensitive Contrast Agents for Magnetic Resonance Imaging
  作者：Natarajan Raghunand、Gerald P. Guntle、Vijay Gokhale、Gary S. Nichol、Eugene A. Mash、Bhumasamudram Jagadish

  DOI：10.1021/jm100592u

  日期：2010.9.23

  The design and synthesis of three 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (DO3A) derivatives bearing linkers with terminal thiol groups and a preliminary evaluation of their potential for use in assembling redox-sensitive magnetic resonance imaging contrast agents are reported. The linkers were selected on the basis of computational docking with a crystal structure of human serum albumin (HSA). Gd(III)-DO3A and EU(III)-DOA complexes were synthesized, and the structure of one complex was established by X-ray crystallographic analysis. The binding to HSA of a Gd(III)-DO3A complex bearing a thiol-terminated 3,6-dioxanonyl chain was competitively inhibited by homocysteine and by the corresponding Eu chelate. Binding, to HSA was abolished when the terminal thiol group of this complex was absent. The longitudinal water-proton relaxivities (r(1)) of the three Gd(III)-DO3A complexes and of two Gd(III)-1,4,7,10-tetraazacyclododecane-,4,7,10-tetraacetic acid (DOTA) complexes were measured in saline at 7 T. The DO3A complexes exhibited smaller r(t) values, in both bound and free states, than the DOTA complexes.
• COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR
  申请人：Jenkem Technology Co. Ltd. (Tianjin)

  公开号：EP3067351B1

  公开（公告）日：2019-02-06
• MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE
  申请人：SHIGA UNIVERSITY OF MEDICAL SCIENCE

  公开号：US20150352232A1

  公开（公告）日：2015-12-10

  Disclosed is a compound represented by formula (1) or a salt thereof, formula (1): wherein X is a residue of a compound having activity of binding to at least one member selected from the group consisting of amyloid β proteins, tau proteins, α-synuclein, and TDP-43; m is an integer of 0 to 6; n is an integer of 1 to 5; and J is a group selected from the group consisting of wherein R 1 and R 2 are each independently a hydrogen atom, a fluorine atom, methyl, or trifluoromethyl; R 3 is trifluoromethyl or trifluoromethoxy; and p is an integer of 1 to 4, provided that m+n≧5 when J is J-1, and m+n≧7 when J is J-2 or J-3.
• COMPOUND HAVING HIGHER INHIBITORY ACTIVITY ON PROTEIN KINASE G AND PREPARATION METHOD THEREOF
  申请人：Jenkem Technology Co., Ltd., (Tianjin)

  公开号：US20160304501A1

  公开（公告）日：2016-10-20

  Disclosed are a compound of Formula I, having higher inhibition of protein kinase G (PKG) activity and pharmaceutically acceptable salts thereof. In Formula I, R 1 and R 2 are the same or different, each being independently chosen from the halogens, the C 1 -C 6 alkoxyl group, the C 1 -C 6 alkyl group, the C 2 -C 6 alkenyl group, and the C 2 -C 6 alkynyl group; R 3 is chosen from H, the halogens, the substituted or unsubstituted C 1 -C 6 alkyl group, C 3 -C 6 cycloalkyl group, C 2 -C 6 alkenyl group, and C 2 -C 6 alkynyl group, aryl group, and heteroaryl group; and n is an integer between 0 and 15. Also disclosed is a pharmaceutical composition comprising said compound, the use of the compound in treating pains, in particular chronic pain, a preparation method for the compound, and a new intermediate.
• FLUORESCENT CONJUGATED POLYMERS WITH A BODIPY-BASED BACKBONE AND USES THEREOF
  申请人：Michigan Technological University

  公开号：US20170014532A1

  公开（公告）日：2017-01-19

  The present invention provides various fluorescent conjugated polymers with a BODIPY-based backbone. The invention also provides methods of using the polymers of the invention, such as for imaging and detection of cells, tumors, bacteria and viruses.