叉明草素 | 101467-40-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 叉明草素
• 中文别名: 7-甲氧基-1-甲基-1,2,3,4-四氢-6-羟基异喹啉；(+,-)-7-甲氧基-6-羟基-1-甲基-1,2,3,4-四氢异喹啉
• 英文名称: salsoline
• 英文别名: (R)-salsoline；(1R)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
• CAS: 101467-40-7
• 化学式: C₁₁H₁₅NO₂
• 分子量: 193.246
• InChiKey: YTPRLBGPGZHUPD-SSDOTTSWSA-N

物化性质

• 熔点：
  221°
• 比旋光度：
  D20 +34.5° (c = 1 in 0.1N HCl)
• 沸点：
  336.7±42.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-二甲氧基苄醇 、 叉明草素 在 正丁基锂 、 对甲苯磺酰氯 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 192.33h， 以40%的产率得到(R)-bernumicine
  参考文献：
  名称：

  Pinet; Chavant; Averbuch-Pouchot, Journal of Chemical Research - Part S, 2001, # 2, p. 65 - 67

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(3-(苄氧基)-4-甲氧基苯基)乙胺 在 palladium on activated charcoal 甲酸 、 氢气 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 33.5h， 生成 叉明草素
  参考文献：
  名称：

  Pinet; Chavant; Averbuch-Pouchot, Journal of Chemical Research - Part S, 2001, # 2, p. 65 - 67

  摘要：

  DOI：

文献信息

• Synthesis of isobornylphenols containing heterocyclic and benzylic fragments
  作者：E. V. Buravlev、I. Yu. Chukickeva、A. V. Kuchin

  DOI：10.1007/s10600-008-9086-z

  日期：2008.7

  The alkaloids salsolidine, salsoline and (R)-N-benzyl-l-phenylethylamine were added to 7-methyl-2-isobornylphenol using an aminomethylation reaction.

  通过氨甲基化反应，将生物碱香豆素、香豆素啉和(R)-N-苄基-l-苯乙胺加入到 7-甲基-2-异冰片酚中。
• Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them
  申请人：INTERx RESEARCH CORPORATION

  公开号：EP0046270A1

  公开（公告）日：1982-02-24

  Novel transient prodrug forms of bio-affecting phenolic compounds are selected from the group consisting of those having the structural formula (I): wherein X is O, S or NR5 wherein R5 is hydrogen or lower alkyl; R1 is the mono- or polydehydroxylated residue of a non-steroidal bio-affecting phenol, with the proviso that R' is other than a monohydroxylated or didehydroxylated residue of a phenolic, nuclear dihydroxy natural sympathetic or sympathomimetic amine; R2 is selected from the group consisting of straight or branched chain alkyl, aryl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, aralkyl, alkaryl, aralkenyl, aralkynyl, alkenylaryl, alkynylaryl, (lower acyloxy)alkyl, and carboxyalkyl; 3- to 8-membered, saturated or unsaturated mono-heterocyclic or polyheterocyclic containing from 1 to 3 of any one or more of the heteroatoms N, S or O; and mono- or polysubstituted derivatives of the above; R3 is hydrogen, lower acyl, cyano, halo(lower alkyl), carbamyl, lower alkylcarbamyl, di(lower alkyl)carbamyl, CH2ONO2, -CH2OCOR2 or any non-heterocyclic member of the group defined by R2 above; and n is at least one and equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol etherified via a R2COXCH(R3)0-moiety; those having the structural formula (II): wherein X, R', R2 and R3 are as defined above, and n and m are each at least one and the sum of n+m equals the total number of phenolic hydroxyl functions comprising the non-steroidal bioaffecting phenol either etherified via a R2COXCH(R3)0-moiety or esterified via a R2COO-moiety; and the pharmaceutically acceptable acid addition salts, quaternary ammonium salts and N-oxides thereof.

  生物效应酚类化合物的新型瞬效原药形式选自具有结构式(I)的化合物组成的组： 其中 X 是 O、S 或 NR5，其中 R5 是氢或低级烷基；R1 是非类固醇生物效应酚的单羟基或多羟基残基，但 R' 不是酚、核二羟基天然交感胺或拟交感胺的单羟基或双羟基残基；R2 选自直链或支链烷基、芳基、环烷基、烯基、环烯基、炔基、芳烷基、烷芳基、芳烯基、芳炔基、烯芳基、炔芳基、（低级酰氧基）烷基和羧基烷基组成的组；R3 是氢、低级酰基、氰基、卤代（低级烷基）、氨甲酰基、低级烷基氨甲酰 基、二（低级烷基）氨甲酰基、CH2ONO2、-CH2OCOR2 或上述 R2 定义的基团中的任何非杂环成员；且 n 至少为 1，等于通过 R2COXCH(R3)0 子代醚化的非甾体生物作用酚所包含的酚羟基官能团的总数；具有结构式（II）的酚羟基官能团： 其中 X、R'、R2 和 R3 如上文所定义，n 和 m 至少各为 1，且 n+m 之和等于非甾体类生物效应酚通过 R2COXCH(R3)0 子键醚化或通过 R2COO 子键酯化的酚羟基官能团的总数；及其药学上可接受的酸加成盐、季铵盐和 N-氧化物。
• Theranostics platform and methods of use
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US10161929B2

  公开（公告）日：2018-12-25

  Theranostics platforms for identifying drugs and nutraceuticals for treatment of rare disease are described. The platforms comprise (a) a cell-phenotype image-enhancing instrument; (b) a drug/nutraceutical library; and (c) a computer-implemented system for analyzing a response of an optically-visible rare-disease cell phenotype to a drug or nutraceutical from the drug/nutraceutical library.

  本文描述了用于识别治疗罕见病的药物和营养保健品的血清学平台。这些平台包括：(a) 细胞表型图像增强仪器；(b) 药物/营养保健品库；(c) 计算机实施系统，用于分析光学可视罕见疾病细胞表型对药物/营养保健品库中药物或营养保健品的反应。
• Pre-analysis treatment method for sample containing plurality of components with greatly different concentrations
  申请人：AiSTI SCIENCE CO., Ltd.

  公开号：US10656126B2

  公开（公告）日：2020-05-19

  A pre-analysis treatment method includes: a first retaining step of supplying, to a solid phase, each predetermined amount of the sample and a first solvent, and allowing a component at low concentration to be retained in the solid phase; a first washing step of supplying the first solvent to the solid phase and removing a component at high concentration from the solid phase; a second retaining step of supplying the sample in a smaller amount than the predetermined amount supplied in the first retaining step, and a second solvent to the solid phase, and allowing the component at high concentration to be retained in the solid phase; and an elution step of simultaneously extruding the components retained in the solid phase with an extrusion solvent.

  一种分析前处理方法包括第一保留步骤：向固相提供各预定量的样品和第一溶剂，并允许低浓度成分保留在固相中； 第一洗涤步骤：向固相提供第一溶剂，并从固相中去除高浓度成分；第二保留步骤：向固相中提供小于第一保留步骤中预定量的样品和第二溶剂，并允许高浓度组分保留在固相中；以及洗脱步骤：同时用挤出溶剂挤出保留在固相中的组分。
• Proskurnina; Orechow, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 1999,2004
  作者：Proskurnina、Orechow

  DOI：——

  日期：——