3-Dehydro-digoxigenin | 4442-17-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-Dehydro-digoxigenin
• 英文别名: (5beta)-12,beta,14-Dihydroxy-3-oxocard-20(22)-enolide；3-[(5R,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 4442-17-5；54601-52-4；122238-58-8
• 化学式: C₂₃H₃₂O₅
• 分子量: 388.504
• InChiKey: POWMMMXVDBMFMP-IYGQVCONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  地黄苷元 、 氧气 在 铂 作用下， 以 水 、 丙酮 为溶剂， 以leaving 1.01 g of white solid的产率得到3-Dehydro-digoxigenin
  参考文献：
  名称：

  Genetically engineered enzymes and their conjugates for diagnostic assays

  摘要：

  本发明涉及基因工程酶、它们的配体共轭物、它们的制造以及它们在定性或定量分析中的应用。一种混合酶，例如AP-表位，将一个外来氨基酸基团（表位）插入到起始AP酶的活性位点附近。外来氨基酸基团与分析物结合，由于这种结合，混合酶AP-表位的酶活性被修改。酶活性的变化取决于分析物的存在或数量。在另一种实施方式中，混合酶包含在AP的活性位点附近引入一个半胱氨酸以形成混合酶。混合酶上的半胱氨酸用作配体的共轭点，例如茶碱、铁蛋白、甲状腺素或地高辛，以形成混合酶-配体共轭物。配体与抗体、分析物或分析物的结合分子结合，由于这种结合，混合酶-配体共轭物的酶活性被修改或调节。

  公开号：

  US05843634A1

文献信息

• Biological reagent
  申请人：Burroughs Wellcome Co.

  公开号：US03954739A1

  公开（公告）日：1976-05-04

  Compounds of formula (VIII) wherein R.sup.1, r.sup.2, r.sup.3, r.sup.4 and R.sup.5 are each selected from hydrogen and an hydroxyl group and at least four are hydrogen; B is an alkylene chain of from 1 to 4 carbon atoms; R is selected from hydrogen and an alkyl group of from 1 to 4 carbon atoms; A is selected from a bond and a straight or branched, optionally substituted alkylene chain of 1 to 6 carbon atoms, and X.sup.1 and X.sup.2 are each selected from hydrogen and an iodine radioisotope. Compounds of this formula are of value as agents for use in the radioimmunoassay of corresponding genins of formula (V) and derivatives thereof. Also provided by the invention are a radioimmunoassay method utilizing compounds of formula (VIII) and a test kit suitable for use in performing the assay.

  化合物的化学式为（VIII），其中R.sup.1，r.sup.2，r.sup.3，r.sup.4和R.sup.5分别选择自氢和羟基，至少有四个是氢; B是1至4个碳原子的烷基链; R选择自氢和1至4个碳原子的烷基; A选择自键和1至6个碳原子的直链或支链，可选地取代的烷基链，X.sup.1和X.sup.2分别选择自氢和碘放射性同位素。该式化合物可作为与化学式（V）及其衍生物相应的基因素的放射免疫测定的试剂。发明还提供了一种利用该式化合物的放射免疫测定方法和适用于执行该测定的试剂盒。
• Fluorescence immunoassays using fluorescent dyes free of aggregation and
  申请人：Hyperion, Inc.

  公开号：US06060598A1

  公开（公告）日：2000-05-09

  Fluorescence immunoassays methods are provided which use fluorescent dyes which are free of aggregation and serum binding. Such immunoassay methods are thus, particularly useful for the assay of biological fluids, such as serum, plasma, whole blood and urine.

  提供了荧光免疫测定方法，使用无聚集和血清结合的荧光染料。这种免疫测定方法因此特别适用于生物液体的测定，例如血清、血浆、全血和尿液。
• Genetically engineered enzymes and their conjugates for diagnostic assays
  申请人：Abbott Laboratories

  公开号：US05843634A1

  公开（公告）日：1998-12-01

  This invention relates to genetically engineered enzymes, their ligand conjugates, their manufacture, and their use in qualitative or quantitative assays. A hybrid enzyme, such as an AP-epitope, has a foreign amino acid moiety (an epitope) inserted near the active site of the starting AP enzyme. The foreign amino acid moiety binds with an analyte, and, as a consequence of this binding, the enzymatic activity of the hybrid enzyme, AP-epitope, is modified. The changes in the enzymatic activity are dependent upon the presence, or the amount, of the analyte. In another embodiment, the hybrid enzyme consists of a cysteine introduced near the active site of an AP to give a hybrid enzyme. The cysteine on the hybrid enzyme serves as a point of conjugation of a ligand, such as theophylline, ferritin, thyroxine, or digoxigenin, to form the hybrid enzyme-ligand conjugate. The ligand binds with an antibody, an analyte or a binding molecule to an analyte and as a result of this binding, the enzymatic activity of the hybrid enzyme-ligand conjugate is modified or modulated.

  本发明涉及基因工程酶、它们的配体共轭物、它们的制造以及它们在定性或定量分析中的应用。一种混合酶，例如AP-表位，将一个外来氨基酸基团（表位）插入到起始AP酶的活性位点附近。外来氨基酸基团与分析物结合，由于这种结合，混合酶AP-表位的酶活性被修改。酶活性的变化取决于分析物的存在或数量。在另一种实施方式中，混合酶包含在AP的活性位点附近引入一个半胱氨酸以形成混合酶。混合酶上的半胱氨酸用作配体的共轭点，例如茶碱、铁蛋白、甲状腺素或地高辛，以形成混合酶-配体共轭物。配体与抗体、分析物或分析物的结合分子结合，由于这种结合，混合酶-配体共轭物的酶活性被修改或调节。