柯喃因 | 483-10-3

• 物质功能分类: 天然产物 - 生物碱
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 育亨宾生物碱
• 中文名称: 柯喃因
• 中文别名: 柯楠次碱；柯楠辛鹼；柯楠质；柯楠碱
• 英文名称: corynanthine
• 英文别名: Corynanthin；Yohimbin；rauwolscine；yohimbine；methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
• CAS: 483-10-3
• 化学式: C₂₁H₂₆N₂O₃
• 分子量: 354.449
• InChiKey: BLGXFZZNTVWLAY-DKJBZYCGSA-N

物化性质

• 熔点：
  225-230°C
• 比旋光度：
  D19 -85° (c = 0.5 in pyridine)
• LogP：
  2.200 (est)
• 溶解度：
  >53.2 [ug/mL]
• 碰撞截面：
  186 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  65.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 安全说明：
  S1,S20,S45
• 危险类别码：
  R25
• WGK Germany：
  3
• 危险品运输编号：
  UN 1544

反应信息

• 作为反应物：
  描述：

  柯喃因 在 氢氧化钾 作用下， 生成 育亨宾
  参考文献：
  名称：

  Geographical Targeting for Poverty Alleviation: An Introduction to the Special Issue

  摘要：

  面对公共赤字的增加和公共资源的缩减，在发展中国家，地理定位可能是一种分配扶贫资源的可行方法。通过瞄准越来越小的地区，可以提高效率，并大大减少向非贫困人口的流失。这篇文章，以及更广泛意义上的 "地理定位扶贫 "专题讨论会，提出了几种扩充数据的技术，以绘制更详细的贫困地图。文章的重点是设计有地理针对性的扶贫计划时的实际考虑因素。特别是，它评估了地理定位的优缺点，并介绍了如何应用地理信息系统来改进贫困地图的绘制。

  DOI：

  10.1093/wber/14.1.129

文献信息

• Novel N-acylated heterocycles
  申请人：Recordati S.A.

  公开号：US20030162777A1

  公开（公告）日：2003-08-28

  Described are compositions comprising a muscarinic receptor antagonist and an N-acylated heterocycle derivative having affinity for serotonergic receptors, and enantiomers, diastereoisomers, N-oxides, polymorphs, solvates and pharmaceutically acceptable salts thereof. The combination of a muscarinic receptor antagonist and an N-acylated heterocycle, or an enantiomer, diastereoisomer, N-oxide, polymorph, solvate or pharmaceutically acceptable salt thereof, is useful in the treatment of patients with neuromuscular dysfunction of the lower urinary tract and diseases related to 5-HT 1A receptors.

  描述了包含一种肌氨酸受体拮抗剂和一种对5-HT 1A 受体具有亲和力的N-酰化杂环衍生物的组合物，以及它们的对映体、二对映体、N-氧化物、多型体、溶剂合物和药用可接受盐。肌氨酸受体拮抗剂和N-酰化杂环，或其对映体、二对映体、N-氧化物、多型体、溶剂合物或药用可接受盐的组合，在治疗患有下尿路神经肌肉功能障碍和与5-HT 1A 受体相关疾病的患者中是有用的。
• [EN] COMPOSITIONS AND METHODS THEREOF<br/>[FR] COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：EXCIVA UG HAFTUNGSBESCHRAENKT

  公开号：WO2018039642A1

  公开（公告）日：2018-03-01

  Compounds of formula I, (I) or enantiomers thereof, metabolites thereof, derivatives thereof, deuterated derivatives thereof, halogenated derivatives thereof, prodrugs thereof, pharmaceutically acceptable salts thereof, N- oxides thereof, or a combination thereof, processes and intermediates for preparation thereof, compositions thereof, and uses thereof, are provided. Pharmaceutical compositions comprising a compound of formula I and a compound of Formula II: (IIa) (IIb) or enantiomers thereof, metabolites thereof, derivatives thereof, deuterated derivatives thereof, prodrugs thereof, pharmaceutically acceptable salts thereof, N-oxides thereof, or a combination thereof. Compositions and methods for improving the efficacy of DEX, or providing beneficial pharmacokinetic effects to DEX, comprising co-administering a compound of formula I or SARPO, and a compound of Formula II or DEX to a subject in need thereof, and dosage forms, drug delivery systems, methods of treatment thereof.

  提供具有公式I的化合物(I)或其对应异构体、代谢物、衍生物、氘化衍生物、卤化衍生物、前药、药用可接受盐、N-氧化物或其组合，以及它们的制备过程和中间体、组合物和使用方法。包含公式I化合物的药物组合物以及公式II的化合物(IIa) (IIb)或其对应异构体、代谢物、衍生物、氘化衍生物、前药、药用可接受盐、N-氧化物或其组合。包含共给予需要该物质的受试者公式I化合物或SARPO和公式II化合物或DEX的DEX效能改进或提供DEX有益药代动力学效果的组合物和方法，以及剂量形式、药物传递系统、治疗方法。
• 13C NMR as a general tool for the assignment of absolute configuration
  作者：Iria Louzao、José Manuel Seco、Emilio Quiñoá、Ricardo Riguera

  DOI：10.1039/c0cc02774j

  日期：——

  (13)C NMR, alone or in combination with (1)H NMR, allows the assignment of the absolute configuration of chiral alcohols, amines, carboxylic acids, thiols, cyanohydrins, sec,sec-diols and sec,sec-aminoalcohols, derivatized with appropriate chiral auxiliaries. This extends the assignment possibilities of NMR to fully deuterated and to nonproton containing compounds.

  （13）C NMR单独或与（1）H NMR结合使用，可以确定衍生化的手性醇，胺，羧酸，硫醇，氰醇，仲，仲二醇和仲，仲氨基醇的绝对构型与适当的手性助剂。这将NMR的赋值可能性扩展到了完全氘代和不含质子的化合物。
• [EN] MORPHOLINO COMPOUNDS, USES AND METHODS<br/>[FR] COMPOSÉS MORPHOLINO, UTILISATIONS ET PROCÉDÉS
  申请人：UNIV DUNDEE

  公开号：WO2012160392A1

  公开（公告）日：2012-11-29

  The invention relates to morpholino-derivatives according to Formula (I) or stereoisomers or pharmaceutically acceptable salts or solvate thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, m and n are as defined in the specification. The compounds are antagonists, reverse agonists or agonists of G-protein coupled receptors, such as dopamine D4 and 5HT1a. The inventions also relates to pharmaceutical compositions comprising the compounds and methods involving the compounds and compositions. The compounds and compositions of the invention may in particular be used in the treatment of diseases and disorders, such as neurological and neurodegenerative diseases; or as lead compounds for the design and selection of further therapeutic compounds.

  该发明涉及根据式（I）的吗啡啉衍生物或其立体异构体或药用可接受的盐或溶剂化物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、m和n如规范中定义。这些化合物是G蛋白偶联受体的拮抗剂、逆向激动剂或激动剂，例如多巴胺D4和5HT1a。该发明还涉及包括这些化合物的药物组合物和涉及这些化合物和组合物的方法。该发明的化合物和组合物特别可用于治疗疾病和疾病，如神经和神经退行性疾病；或作为设计和选择更多治疗化合物的引导化合物。
• MORPHOLINO COMPOUNDS, USES AND METHODS
  申请人：University of Dundee

  公开号：US20140148452A1

  公开（公告）日：2014-05-29

  The invention relates to morpholino-derivatives according to Formula (I) or stereoisomers or pharmaceutically acceptable salts or solvate thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , m and n are as defined in the specification. The compounds are antagonists, reverse agonists or agonists of G-protein coupled receptors, such as dopamine D4 and 5HT1a. The inventions also relates to pharmaceutical compositions comprising the compounds and methods involving the compounds and compositions. The compounds and compositions of the invention may in particular be used in the treatment of diseases and disorders, such as neurological and neurodegenerative diseases; or as lead compounds for the design and selection of further therapeutic compounds.

  该发明涉及按照式(I)的吗啡啉衍生物或其立体异构体或药用可接受的盐或溶剂，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、m和n如规范中定义。这些化合物是G蛋白偶联受体的拮抗剂、反向激动剂或激动剂，例如多巴胺D4和5HT1a。该发明还涉及包括这些化合物的药物组合物和涉及这些化合物和组合物的方法。该发明的化合物和组合物特别可用于治疗疾病和障碍，如神经系统和神经退行性疾病；或作为设计和选择进一步治疗化合物的引导化合物。