[3-[3-[3-[Bis(hydroxymethyl)phosphanyl]propylsulfanyl]propylsulfanyl]propyl-(hydroxymethyl)phosphanyl]methanol | 193073-77-7

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: [3-[3-[3-[Bis(hydroxymethyl)phosphanyl]propylsulfanyl]propylsulfanyl]propyl-(hydroxymethyl)phosphanyl]methanol
• CAS: 193073-77-7
• 化学式: C₁₃H₃₀O₄P₂S₂
• 分子量: 376.458
• InChiKey: JEVZNDYOYDVYCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  564.3±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  21
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-tetrapyridinedioxidorhenium(V) chloride 、 [3-[3-[3-[Bis(hydroxymethyl)phosphanyl]propylsulfanyl]propylsulfanyl]propyl-(hydroxymethyl)phosphanyl]methanol 以 水 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Syntheses and Characterization of Chemically Flexible, Water-Soluble Dithio−Bis(phosphine) Compounds:  (HOH₂C)₂P(CH₂)₂S(CH₂)₃S(CH₂)₂P(CH₂OH)₂, (HOH₂C)₂PCH₂CH₂S(CH₂)₄SCH₂CH₂P(CH₂OH)₂, and (HOH₂C)₂PCH₂CH₂CH₂S(CH₂)₃SCH₂CH₂CH₂P(CH₂OH)₂. Systematic Investigation of the Effect of Chain Length on the Coordination Chemistry of Rhenium(V). X-ray Crystal Structures of [ReO₂(HOH₂C)₂P(CH₂)₂S(CH₂)₃S(CH₂)₂P(CH₂OH)₂]₂(Cl)₂, [ReO₂(HOH₂C)₂P(CH₂)₂S(CH₂)₄S(CH₂)₂P-(CH₂OH)₂]₂(ReO₄^-)₂, and [ReO₂(HOH₂C)₂P(CH₂)₃S(CH₂)₃S(CH₂)₃P(CH₂OH)₂](Cl)

  摘要：

  The water-soluble dithio-bis(phosphine)s (HOH2C)(2)P(CH2)(2)S(CH2)(2)P(CH2OH)(2) (1), (HOH2C)(2)PCH2- CH2S(CH2)(4)SCH2CH2P(CH2OH)(2) (4), and (HOH2C)(2)PCH2CH2CH2S(CH2)(3)SCH2CH2CH2P(CH2OH)(2) (7) were synthesized in near-quantitative yield by the formylation of their appropriate phosphine hydride precursors in the presence of formaldehyde and oxygen-free ethanol. The reactions of 1, 4, and 7 with [ReO2(C5H5N)(4)](Cl) in refluxing water produced the water-soluble Re(V) complexes [ReO2(HOH2C)(2)P(CH2)(2)S(CH2)(3)S(CH2)(2)P(CH2OH)(2)](2)(Cl)(2) (8), [ReO2(HOH2C)(2)P(CH2)(2)S(CH2)(4)S(CH2)(2)P(CH2OH)(2)](2)(ReO4-)(2) (9), and [ReO2(HOH2C)(2)P-(Cl-2)(3)S (CH2)(3)S(CH2)(3)P(CH2OH)(2)](Cl) (10) The X-ray crystallographic analysis of 8-10, reported in this paper, confirmed the dioxorhenium(V) structures. All of the compounds were characterized by H-1, C-13, and P-31 NMR spectroscopy. HPLC chromatographic analysis of 8-10 demonstrated purities of >98% for each of the new complexes formed. X-ray data for [ReO2(HOH2C)(2)P(CH2)(2)S(CH2)(3)S(CH2)(2)P(CH2OH)(2)](2)(Cl)(2) (8): monoclinic, P2(1)/n, a = 10.7982(5) Angstrom, b = 23.486(1) Angstrom, c = 15.4408(8) Angstrom, beta = 94.539(1)degrees, Z = 4, R = 0.0246 (wR2 = 0.0574). For [ReO2(HOH2C)(2)P(CH2)(2)S(CH2)(4)S(CH2)(2)P(CH2OH)(2)](2)(ReO4-)(2) (9): triclinic, <(P)over bar 1>, a = 10.3762(5) Angstrom, b = 12.1099(6) Angstrom, c = 18.7555(9) Angstrom, alpha = 90.259(1)degrees, beta = 91.900(1)degrees, gamma = 104,965(1)degrees, Z = 2, R = 0.0546 (wR2 = 0.1412). For [ReO2(HOH2C)(2)P(CH2)(3)S(CH2)(3)S(CH2)(3)P(CH2OH)(2)] (10): monoclinic, P2(1)/n, a = 10.6224(6) Angstrom, b = 12.5532(8) Angstrom, c = 18.5757(11) Angstrom, beta = 103.663(10)degrees, Z = 4, R = 0.0261 (wR2 = 0.0656).

  DOI：

  10.1021/ic970097z
• 作为产物：
  描述：

  1-diethoxyphosphoryl-3-[3-(3-diethoxyphosphorylpropylsulfanyl)propylsulfanyl]propane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 [3-[3-[3-[Bis(hydroxymethyl)phosphanyl]propylsulfanyl]propylsulfanyl]propyl-(hydroxymethyl)phosphanyl]methanol
  参考文献：
  名称：

  Smith, C. J.; Katti, K. V.; Higginbotham, C., Journal of labelled compounds and radiopharmaceuticals, 1997, vol. 40, p. 444 - 446

  摘要：

  DOI：

文献信息

• GRPR-ANTAGONISTS FOR DETECTION, DIAGNOSIS AND TREATMENT OF GRPR-POSITIVE CANCER
  申请人：BIOSYNTHEMA INC.

  公开号：US20150265732A1

  公开（公告）日：2015-09-24

  The present invention relates to probes for use in the detection, imaging, diagnosis, targeting, treatment, etc. of cancers expressing the gastrin releasing peptide receptor (GRPR). For example, such probes may be molecules conjugated to detectable labels which are preferably moieties suitable for detection by gamma imaging and SPECT or by positron emission tomography (PET) or magnetic resonance imaging (MRI) or fluorescence spectroscopy or optical imaging methods.
• Radiolabeled GRPR-Antagonists For Diagnostic Imaging and Treatment of GRPR-Positive Cancer
  申请人：Advanced Accelerator Applications USA, Inc.

  公开号：US20180133349A1

  公开（公告）日：2018-05-17

  The present invention relates to probes for use in the detection, imaging, diagnosis, targeting, treatment, etc. of cancers expressing the gastrin releasing peptide receptor (GRPR). For example, such probes may be molecules conjugated to detectable labels which are preferably moieties suitable for detection by gamma imaging and SPECT or by positron emission tomography (PET) or magnetic resonance imaging (MRI) or fluorescence spectroscopy or optical imaging methods.
• Pharmaceutical Composition Comprising a Radiolabeled GRPR Antagonist and a Surfactant
  申请人：Advanced Accelerator Applications International SA

  公开号：US20220008566A1

  公开（公告）日：2022-01-13

  The present disclosure relates to gastrin-releasing peptide receptor (GRPR) targeting radiopharmaceuticals and uses thereof. In particular, the present disclosure relates to a pharmaceutical composition comprising radiolabeled GRPR-antagonist and a surfactant. The present disclosure also relates to radiolabeled GRPR-antagonist for use in treating or preventing a cancer.
• US9839703B2
  申请人：——

  公开号：US9839703B2

  公开（公告）日：2017-12-12