4-[2-[2-(3,4-二甲氧基苯基)乙基氨基]-1-羟基乙基]苯-1,2-二醇 | 75241-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[2-[2-(3,4-二甲氧基苯基)乙基氨基]-1-羟基乙基]苯-1,2-二醇
• 中文别名: 氯化p-茴香基&lt甲氧苯基甲氧苄基&gt蓝四唑正离子
• 英文名称: RP 333
• 英文别名: l-α-(3,4-dimethoxyphenethylaminomethyl)-3,4-dihydroxybenzylalcohol；α-(3,4-dimethoxyphenethylaminomethyl)-3,4-dihydroxybenzylalcohol；4-[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol
• CAS: 75241-20-2
• 化学式: C₁₈H₂₃NO₅
• 分子量: 333.384
• InChiKey: DIPGFXJERHNAQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.2
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  4-[2-[2-(3,4-二甲氧基苯基)乙基氨基]-1-羟基乙基]苯-1,2-二醇 、 草酸 生成 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol;oxalic acid
  参考文献：
  名称：

  IKEHDZAKI, MUNEHKATSU;UNNO, NORIXIDEH;NAGAO, XIRAKU;NOSIYAMA, MASAO;NAKAD+

  摘要：

  DOI：
• 作为产物：
  描述：

  α-(3,4-dimethoxyphenethylaminomethyl)-3,4-dibenzyloxybenzylalcohol 生成 4-[2-[2-(3,4-二甲氧基苯基)乙基氨基]-1-羟基乙基]苯-1,2-二醇
  参考文献：
  名称：

  .alpha.-(3,4-Dimethoxyphenethylaminomethyl)-3,4 or

  摘要：

  公式为：##SPC1## 其中环A'为二苯氧基苯基，Y为羰基或羟甲亚基，经过催化氢化反应。得到的产物为：##SPC2## 其中环A为二羟基苯基。该产品可用作心力衰竭药物。它还以肾上腺素β1受体激活活性与肾上腺素β2受体激活活性的高效比率而闻名。

  公开号：

  US03952021A1

文献信息

• Non-enzymatic oxidation of the new cardiotonic agent denopamine and its derivatives: Comparison with enzymatic oxidation.
  作者：TOSHIKAZU SUZUKI、YOSHIMASA HASHIMURA、SHIGEYUKI TAKEYAMA

  DOI：10.1248/cpb.33.3859

  日期：——

  Chemical oxidation of the positive inotropic agent denopamine, (-)-(R)-1-(p-hydroxyphenyl)-2-[(3, 4-dimethoxyphenethyl) amino] ethanol, and its derivatives by Udenfriend's model system for enzymatic oxidation was studied. The oxidation products were separated and identified by gas chromatography-mass spectrometry and high-performance liquid chromatography. All the metabolites of denopamine produced by enzymatic oxidation were also formed in Udenfriend's system. However, compared to enzymatic oxidation, the chemical oxidation was less selective as to the position of demethylation : i.e., although enzymatic 4'-O-demethylation took place overwhelmingly in preference to 3'-O-demethylation, comparable amounts of the two demethylated isomers were produced in Udenfriend's system. It was also found that the chemical oxidation was more powerful than the enzymatic oxidation because hydroxylation at the ortho or para position to the methoxy group took place in all the substrates tested, while such metabolites have not been detected in biological systems. As in the enzymatic system, tetrahydroisoquinoline-type compounds were formed from substrates in which the hydroxy group was attached at the meta position of the benzene ring. This is presumably a result of Pictet-Spengler-type condensation with formaldehyde generated in the reaction mixture.

  研究了正性肌力药地诺帕明、(-)-(R)-1-(对羟基苯基)-2-[(3, 4-二甲氧基苯乙基)氨基]乙醇及其衍生物在 Udenfriend 酶促氧化模型系统中的化学氧化作用。氧化产物通过气相色谱-质谱法和高效液相色谱法进行分离和鉴定。酶法氧化产生的所有地诺帕明代谢物在 Udenfriend 系统中也有形成。不过，与酶促氧化法相比，化学氧化法对去甲基化位置的选择性较低：也就是说，虽然酶促 4'-O- 去甲基化比 3'-O- 去甲基化更占优势，但在 Udenfriend 体系中产生的两种去甲基化异构体的数量相当。研究还发现，化学氧化作用比酶法氧化作用更强，因为在所有测试的底物中，甲氧基的正位或对位都发生了羟基化反应，而在生物系统中还没有检测到这种代谢物。在酶系统中，羟基连接在苯环元位置的底物会形成四氢异喹啉类化合物。这可能是与反应混合物中产生的甲醛进行 Pictet-Spengler 型缩合的结果。
• BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS
  申请人：RICKLES Richard

  公开号：US20100009934A1

  公开（公告）日：2010-01-14

  The invention features a method of treating a B-cell proliferative disorder by administering to a patient a BAR agonist, e.g., formulated for administration by a route other than inhalation (such as for oral or intravenous administration), in an amount effective to treat the B-cell proliferative disorder. The BAR agonist may be administered as a monotherapy or in combination with one or more other agents, e.g., a PDE inhibitor, an A2A receptor agonist, or an antiproliferative compound, in amounts that together are effective to treat the B-cell proliferative disorder. The invention further features pharmaceutical compositions and kits including a BAR agonist, alone or in combination with additional agents, for the treatment of a B-cell proliferative disorder.
• US3952021A
  申请人：——

  公开号：US3952021A

  公开（公告）日：1976-04-20
• US4032575A
  申请人：——

  公开号：US4032575A

  公开（公告）日：1977-06-28
• US4072759A
  申请人：——

  公开号：US4072759A

  公开（公告）日：1978-02-07