2-氨基-1-(3,5-二甲氧基苯基)乙醇 | 91252-41-4

• 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: 2-氨基-1-(3,5-二甲氧基苯基)乙醇
• 英文名称: 2-hydroxy-2-(3,5-dimethoxyphenyl)ethylamine
• 英文别名: 2-amino-1-(3,5-dimethoxyphenyl)ethan-1-ol；2-amino-1-(3,5-dimethoxyphenyl)ethanol；3,5-Dimethoxy-β-hydroxy-phenethylamin
• CAS: 91252-41-4
• 化学式: C₁₀H₁₅NO₃
• mdl: MFCD03840178
• 分子量: 197.234
• InChiKey: UOBUBYADHSKKDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  BOC-甘氨酸 、 2-氨基-1-(3,5-二甲氧基苯基)乙醇 在 N,N'-羰基二咪唑 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以95%的产率得到tert-butyl (2-((2-(3,5-dimethoxyphenyl)-2-hydroxyethyl)amino)-2-oxoethyl)carbamate
  参考文献：
  名称：

  신규한 α1-아드레날린 수용체 효능제

  摘要：

  This is the translation of the text you provided: This invention relates to a novel α1-adrenergic receptor agonist, more specifically to a novel analogue of midodrine, an α1-adrenergic receptor agonist. The midodrine analogue of this invention can be useful in the prevention and treatment of diseases requiring activation of AMPK (metabolic diseases, cardiovascular diseases, inflammatory diseases, etc.) by increasing the expression of key regulators of energy metabolism in the body, such as p-AMPK, PPARδ, and PGC-1α.

  公开号：

  KR20180065636A
• 作为产物：
  描述：

  1-(3,5-dimethoxyphenyl)-2-nitroethanol 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 2-氨基-1-(3,5-二甲氧基苯基)乙醇
  参考文献：
  名称：

  신규한 α1-아드레날린 수용체 효능제

  摘要：

  This is the translation of the text you provided: This invention relates to a novel α1-adrenergic receptor agonist, more specifically to a novel analogue of midodrine, an α1-adrenergic receptor agonist. The midodrine analogue of this invention can be useful in the prevention and treatment of diseases requiring activation of AMPK (metabolic diseases, cardiovascular diseases, inflammatory diseases, etc.) by increasing the expression of key regulators of energy metabolism in the body, such as p-AMPK, PPARδ, and PGC-1α.

  公开号：

  KR20180065636A

文献信息

• Mineralocorticoid receptor antagonists: Identification of heterocyclic amide replacements in the oxazolidinedione series
  作者：Jason M. Cox、Hong D. Chu、Christine Yang、Hong C. Shen、Zhicai Wu、Jaume Balsells、Alejandro Crespo、Patricia Brown、Beata Zamlynny、Judyann Wiltsie、Joseph Clemas、Jack Gibson、Lisa Contino、JeanMarie Lisnock、Gaochao Zhou、Margarita Garcia-Calvo、Thomas Bateman、Ling Xu、Xinchun Tong、Martin Crook、Peter Sinclair

  DOI：10.1016/j.bmcl.2014.02.057

  日期：2014.4

  Novel potent and selective mineralocorticoid receptor antagonists were identified, utilizing heterocyclic amide replacements in the oxazolidinedione series. Structure–activity relationship (SAR) efforts focused on improving lipophilic ligand efficiency (LLE) while maintaining nuclear hormone receptor selectivity and reasonable pharmacokinetic profiles.

  利用恶唑烷二酮系列中的杂环酰胺替代品，鉴定出新型有效且选择性的盐皮质激素受体拮抗剂。构效关系（SAR）的工作重点是提高亲脂性配体效率（LLE），同时保持核激素受体选择性和合理的药代动力学特征。
• [EN] MORPHOLINE DERIVATIVES FOR USE AS DOPAMINE AGONISTS IN THE TREATMENT OF I.A. SEXUAL DYSFUNCTION<br/>[FR] DERIVES DE MORPHOLINE DESTINES A ETRE UTILISES COMME AGONISTES DE LA DOPAMINE DANS LE TRAITEMENT DE LA DYSFONCTION SEXUELLE I.A.
  申请人：PFIZER LTD

  公开号：WO2004052372A1

  公开（公告）日：2004-06-24

  The present invention provides for compounds of formula (I), (la) and (lb) Wherein: A is selected from C-X and N, B is selected from C-Y and N, R1 is selected from H and (C1-C6)alkyl R2 is selected from H and (C1-C6)alkyl, X is selected from H, HO, C(O)NH2, NH2 Y is selected from H HO,, NH2, Br, Cl and F Z is selected from H, HO, F, CONH2 and CN; And pharmaceutically acceptable salts, solvates and prodrugs thereof; With the provisos that: for a compound of formula (I), (la) or (lb), when A is C-X, B is C-Y, at least one of X, Y and Z must be OH; for a compound of formula (I), when A is C-X and B is C-Y, Y is H, Z is H, R1 is H and R2 is H, then X cannot be OH; these compounds are useful as dopamine agonists for the treatment of i.a. secual dysfunction.

  本发明提供了化合物的结构式(I)、(Ia)和(Ib)，其中：A选自C-X和N，B选自C-Y和N，R1选自H和(C1-C6)烷基，R2选自H和(C1-C6)烷基，X选自H、HO、C(O)NH2、NH2，Y选自H、HO、NH2、Br、Cl和F，Z选自H、HO、F、CONH2和CN；以及其药学上可接受的盐、溶剂合物和前药；但是：对于结构式(I)、(Ia)或(Ib)的化合物，当A为C-X时，B为C-Y时，X、Y和Z中至少一个必须是OH；对于结构式(I)的化合物，当A为C-X且B为C-Y时，Y为H，Z为H，R1为H，R2为H，则X不能是OH；这些化合物可用作多巴胺激动剂，用于治疗性功能障碍等。
• [EN] MINERALOCORTICOID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES D'UN RÉCEPTEUR DES MINÉRALOCORTICOÏDES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013055608A1

  公开（公告）日：2013-04-18

  The present invention is directed to compounds of the Formula (I) as well as pharmaceutically acceptable salts thereof, that are possible useful for treating aldosterone-mediated diseases. The invention furthermore relates to processes for preparing compounds of the Formula (I), to their possible use for the treatment of the above mentioned diseases and for preparing pharmaceuticals for this purpose, and to pharmaceutical compositions which comprise compounds of the Formula (I).

  本发明涉及式（I）化合物以及其药用可接受的盐，可能对治疗醛固酮介导的疾病有用。该发明还涉及制备式（I）化合物的方法，它们可能用于治疗上述疾病以及为此目的制备药物，并且涉及包含式（I）化合物的药物组合物。
• [EN] SELECTIVE DOPAMIN D3 RECEPTOR AGONISTS FOR THE TREATMENT OF SEXUAL DYSFUNCTION<br/>[FR] AGONISTES SELECTIFS DU RECEPTEUR DE LA DOPAMINE D3 POUR TRAITER LES TROUBLES D'ORDRE SEXUEL
  申请人：PFIZER LTD

  公开号：WO2003051370A1

  公开（公告）日：2003-06-26

  The use of a composition comprising a selective dopamine D3 receptor agonist, wherein said dopamine D3 receptor agonist is at least about 15-times more functionally selective for a dopamine D3 receptor as compared with a dopamine D2 receptor when measured using the same functional assay, in the preparation of a medicament for the treatment and/or prevention of sexual dysfunction.

  使用一种包含选择性多巴胺D3受体激动剂的组合物，其中所述的多巴胺D3受体激动剂在使用相同的功能性测定时，与多巴胺D2受体相比至少具有15倍的功能选择性，用于制备治疗和/或预防性功能障碍的药物。
• Morpholine dopamine agonists
  申请人：Pfizer Inc.

  公开号：US20040259874A1

  公开（公告）日：2004-12-23

  The present invention provides for compounds of formula (I), (Ia) and (Ib) 1 Wherein: A is selected from C—X and N, B is selected from C—Y and N, R 1 is selected from H and (C 1 -C 6 )alkyl, R 2 is selected from H and (C 1 -C 6 )alkyl, X is selected from H, HO, C(O)NH 2 , NH 2 Y is selected from H, HO, NH 2 , Br, Cl and F Z is selected from H, HO, F, CONH 2 and CN; And pharmaceutically acceptable salts, solvates and prodrugs thereof; With the provisos that: for a compound of formula (I), (Ia) or (Ib), when A is C—X, B is C—Y, R 1 is H or (C 1 -C 6 )alkyl and R 2 is H or (C 1 -C 6 )alkyl at least one of X, Y and Z must be OH; for a compound of formula (I), when A is C—X and B is C—Y, Y is H, Z is H, R 1 is H and R 2 is H, then X cannot be OH; these compounds are useful as a medicament.

  本发明提供了式(I)、(Ia)和(Ib)的化合物，其中：A选择自C—X和N，B选择自C—Y和N，R1选择自H和(C1-C6)烷基，R2选择自H和(C1-C6)烷基，X选择自H、HO、C(O)NH2和NH2，Y选择自H、HO、NH2、Br、Cl和F，Z选择自H、HO、F、CONH2和CN；以及其药学上可接受的盐、溶剂和前药；但必须满足以下条件：对于式(I)、(Ia)或(Ib)的化合物，当A为C—X，B为C—Y，R1为H或(C1-C6)烷基，R2为H或(C1-C6)烷基时，X、Y和Z中至少有一个必须为OH；对于式(I)的化合物，当A为C—X，B为C—Y，Y为H，Z为H，R1为H，R2为H时，X不能为OH；这些化合物在药物方面有用。