sirolimus | 1323986-97-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: sirolimus
• 英文别名: (2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-36-phenyl-20,41-dioxa-13,34,36,38-tetrazapentacyclo[31.5.2.16,10.013,18.034,38]hentetraconta-2,25,39-triene-11,12,19,23,29,35,37-heptone
• CAS: 1323986-97-5；149438-31-3
• 化学式: C₅₉H₈₄N₄O₁₅
• 分子量: 1089.33
• InChiKey: UWOPWQHVFWVVTQ-PHAONZTPSA-N

物化性质

• 沸点：
  1071.3±75.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  78
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  239
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  4-苯基-1,2,4-三唑啉-3,5-二酮 、 雷帕霉素 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 sirolimus 、 sirolimus
  参考文献：
  名称：

  [EN] SANDWICH ASSAY DESIGN FOR SMALL MOLECULES
  [FR] CONCEPTION DE DOSAGE EN SANDWICH POUR DES PETITES MOLÉCULES

  摘要：

  本发明揭示了一种为小分子设计夹心法测定的抗体的方法，该小分子的分子量约为500至2000。该方法包括制备第一种结合于小分子的抗体，以及制备第二种结合于小分子的抗体，该第二种抗体结合于小分子的某个部位，而不是第一种抗体结合的部位。第二种抗体是从包含小分子预定部分的免疫原制备的。这些抗体可用于小分子的夹心法测定。

  公开号：

  WO2016100116A1

文献信息

• [EN] COMPOUNDS AND METHODS FOR DETERMINATION OF FKBP-BINDING IMMUNOSUPPRESSANT DRUGS<br/>[FR] COMPOSÉS ET PROCÉDÉS DE DÉTERMINATION DE MÉDICAMENTS IMMUNOSUPPRESSEURS LIANT FKBP
  申请人：SIEMENS HEALTHCARE DIAGNOSTICS

  公开号：WO2014088987A1

  公开（公告）日：2014-06-12

  Compositions are disclosed for releasing an FKBP-binding immunosuppressant drug from endogenous binding substances in a sample suspected of containing the FKBP-binding immunosuppressant drug. The compositions include sirolimus derivatives that are modified with a bulky organic radical in the triene portion of the sirolimus molecule. The compositions may be employed in conjunction with assays for an FKBP-binding immunosuppressant drug in a sample suspected of containing the drug.

  本文披露了一种用于从疑似含有FKBP结合免疫抑制剂药物的样本中释放药物的化合物。这些化合物包括与sirolimus分子的三烯部分中的笨重有机基团修饰的sirolimus衍生物。这些化合物可与检测疑似含有该药物的样本中的FKBP结合免疫抑制剂药物的检测方法一起使用。
• Sandwich assay design for small molecules
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：US11377483B2

  公开（公告）日：2022-07-05

  Methods are disclosed of designing antibodies for a sandwich assay for a small molecule having a molecular weight of about 500 to about 2,000. The method comprises preparing a first antibody that binds to the small molecule, and preparing a second antibody that binds to the small molecule at a portion of the small molecule other than a portion to which the first antibody binds. The second antibody is prepared from an immunogen that comprises a predetermined portion of the small molecule. The antibodies may be employed in sandwich assays for the small molecule.

  本发明公开了为分子量在 500 至 2000 左右的小分子夹心检测设计抗体的方法。该方法包括制备与小分子结合的第一抗体，以及制备在小分子与第一抗体结合部分以外的部分与小分子结合的第二抗体。第二抗体由包含小分子预定部分的免疫原制备。抗体可用于小分子的夹心检测。
• COMPOUNDS AND METHODS FOR DETERMINATION OF FKBP-BINDING IMMUNOSUPPRESSANT DRUGS
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：EP2928872B1

  公开（公告）日：2018-05-02
• Polynucleotides encoding the fkbB gene of the FK-520 polyketide synthase gene cluster
  申请人：Reeves Christopher

  公开号：US20090186378A1

  公开（公告）日：2009-07-23

  Host cells comprising recombinant vectors encoding the FK-520 polyketide synthase and FK-520 modification enzymes can be used to produce the FK-520 polyketide. Recombinant DNA constructs comprising one or more FK-520 polyketide synthase domains, modules, open reading frames, and variants thereof can be used to produce recombinant polyketide synthases and a variety of different polyketides with application as pharmaceutical and veterinary products.
• Compounds and Methods for Determination of FKBP-Binding Immunosuppressant Drugs
  申请人：SIEMENS HEALTHCARE DIAGNOSTICS INC.

  公开号：US20140154706A1

  公开（公告）日：2014-06-05

  Compositions are disclosed for releasing an FKBP-binding immunosuppressant drug from endogenous binding substances in a sample suspected of containing the FKBP-binding immunosuppressant drug. The compositions include sirolimus derivatives that are modified with a bulky organic radical in the triene portion of the sirolimus molecule. The compositions may be employed in conjunction with assays for an FKBP-binding immunosuppressant drug in a sample suspected of containing the drug.