[(2-{2-[2-(bis-methoxycarbonylmethylamino)-5-methylphenoxy]ethoxy}-4-formyl-5-methyl-phenyl)methoxycarbonylmethylamino]acetic acid methyl ester | 1071176-08-3

• 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-{2-[2-(bis-methoxycarbonylmethylamino)-5-methylphenoxy]ethoxy}-4-formyl-5-methyl-phenyl)methoxycarbonylmethylamino]acetic acid methyl ester
• CAS: 1071176-08-3
• 化学式: C₂₇H₃₂N₂O₁₁
• 分子量: 560.558
• InChiKey: FYIRTRDYMNXBJL-UHFFFAOYSA-N

物化性质

• 沸点：
  673.7±55.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  40.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  147.21
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  [(2-{2-[2-(bis-methoxycarbonylmethylamino)-5-methylphenoxy]ethoxy}-4-formyl-5-methyl-phenyl)methoxycarbonylmethylamino]acetic acid methyl ester 在 三乙胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 乙腈 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Calcium Sensor for Photoacoustic Imaging

  摘要：

  We introduce a selective and cell-permeable calcium sensor for photoacoustics (CaSPA), a versatile imaging technique that allows for fast volumetric mapping of photoabsorbing molecules with deep tissue penetration. To optimize for Ca2+-dependent photoacoustic signal changes, we synthesized a selective metallochromic sensor with high extinction coefficient, low quantum yield, and high photobleaching resistance. Micromolar concentrations of Ca2+ lead to a robust blueshift of the absorbance of CaSPA, which translated into an accompanying decrease of the peak photoacoustic signal. The acetoxymethyl esterified sensor variant was readily taken up by cells without toxic effects and thus allowed us for the first time to perform live imaging of Ca2+ fluxes in genetically unmodified cells and heart organoids as well as in zebrafish larval brain via combined fluorescence and photoacoustic imaging.

  DOI：

  10.1021/jacs.7b03064
• 作为产物：
  描述：

  1-(2-氯乙氧基)-2-硝基苯 在 盐酸 、 铁粉 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 32.0h， 生成 [(2-{2-[2-(bis-methoxycarbonylmethylamino)-5-methylphenoxy]ethoxy}-4-formyl-5-methyl-phenyl)methoxycarbonylmethylamino]acetic acid methyl ester
  参考文献：
  名称：

  Structural Study and Fluorescent Property of a Novel Organic Microporous Crystalline Material

  摘要：

  A novel microporous organic material [(2-{2-[2-(bis-methoxycarbonylmethylamino) phenoxy] ethoxy}-4-benzimidazole-phenyl) methoxycarbonylmethylamino] acetic acid methyl ester 6 was synthesized and characterized by single crystal X-ray diffraction, Fourier transform infrared spectroscopy (FT-IR), electron spray ionization-mass spectrometry (ESI-HRMS), X-ray powder diffraction (PXRD), H-1 and C-13 NMR. 6 crystallizes in the centrosymmetric monoclinic space group C2/c, with unit cell parameters a = 35.648(3) angstrom, b = 14.3240(12) angstrom, c = 15.3693(13) angstrom, alpha = 90.00, beta = 94.8190(10), gamma = 90.00, V = 7820.16 angstrom(3) and Z = 8 at 296(2) K. As indicated by crystal packing, the molecular conjugation planes arrange along the c axis to form micropores due to the hydrogen bonds. In addition, the fluorescent spectrum and luminescence lifetime were studied for 6.

  DOI：

  10.5935/0103-5053.20130276

文献信息

• In Vivo Imaging of Near-Membrane Calcium Ions with Two-Photon Probes
  作者：Chang Su Lim、Min Young Kang、Ji Hee Han、Isravel Antony Danish、Bong Rae Cho

  DOI：10.1002/asia.201100156

  日期：2011.8.1

  report a two‐photon (TP) probe (ACaLN) for near‐membrane Ca2+ that shows a 13‐fold TP excited fluorescence (TPEF) enhancement in response to Ca2+, dissociation constants (KdTP) of (1.9±0.2) μM, pH‐insensitivity at the biologically relevant pH, and can detect near‐membrane Ca2+ in live cells for more than 1500 s and in living tissues at 120 μm depth without interference from other metal ions. Comparison

  我们报道了一种用于近膜Ca 2+的双光子（TP）探针（ACaLN），该探针显示响应Ca 2+的13倍TP激发荧光（TPEF）增强，解离常数（K d TP）为（1.9 ±0.2）μM，在生物学相关的pH值下对pH不敏感，可以检测活细胞中近膜Ca 2+超过1500 s并在120μm深度的活组织中检测到近膜Ca 2+，而不受其他金属离子的干扰。与现有探针的比较为设计用于近膜金属离子的高效TP探针提供了有用的策略。
• CN115385935
  申请人：——

  公开号：——

  公开（公告）日：——