氯化筒箭毒碱 | 57-94-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 氯化筒箭毒碱
• 中文别名: 氯化D-筒箭毒碱；氯化管箭毒碱；氯化右旋筒箭毒；D-筒箭毒碱氯化物；氯化箭毒块茎碱；氯化南美防已碱；氢氯化吐巴口
• 英文名称: tubocurarinium; chloride hydrochloride
• 英文别名: d-tubocurarine chloride；D-turbocurarine；tubocurarine hydrochloride；Tubocurarine；7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-tubocuraranium; chloride hydrochloride；(+)-Tubocurarin-dichlorid；(+)-tubocurarine chloride；(1S,16R)-21-hydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaen-9-olate;dihydrochloride
• CAS: 57-94-3
• 化学式: C₃₇H₄₁N₂O₆*ClH*Cl
• 分子量: 681.656
• InChiKey: GXFZCDMWGMFGFL-KKXMJGKMSA-N

物化性质

• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.71
• 重原子数：
  47
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  81.8
• 氢给体数：
  3
• 氢受体数：
  8

安全信息

• 储存条件：
  储存于阴凉、通风的库房，远离火种、热源，防止阳光直射，包装密封。应与氧化剂、食用化学品分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料收容泄漏物。

制备方法与用途

Tubocurarine是一种有毒的生物碱，历史上曾用作毒箭 poison。在20世纪中叶，它常与麻醉药联合使用，在手术或机械通气过程中提供骨骼肌松弛作用。如今，由于更安全的替代品如 cisatracurium 和 rocuronium 的存在，它很少作为临床麻醉的辅助药物使用。

反应信息

• 作为反应物：
  描述：

  氯化筒箭毒碱 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 62.5h， 生成 6,6',7',12'-tetramethoxy-2,2',2'-trimethyl-1',2'-seco-tubocurarane
  参考文献：
  名称：

  重氮甲烷在Curare碱和部分季四氢异喹啉碱类中的霍夫曼消除作用

  摘要：

  使用大量过量的无碱重氮甲烷导致霍夫曼消除，并带有选定的咖喱碱和其他一些季四氢异喹啉生物碱。（+）-氯化古尿碱提供了单苯乙烯亚甲基O，O-二甲基tubcurinemethine和单苯乙烯-单苯乙烯化合物O，O-二甲基tubcurinedimethine。（+）-异氯古尿碱氯化物和（+）-肉碱甲硫氨酸的主要消除产物分别是单苯乙烯次甲基，O，O-二甲基tubcurcurineisomethine和carneginemethine。在霍夫曼降解条件下，用氢氧化钾处理（+）-月桂肌苷甲硫氨酸，或在无碱重氮甲烷溶液中提供相同的二苯乙烯化合物月桂肌苷。通过催化还原和用甲基碘进行季铵化进一步确定了消除化合物的结构。

  DOI：

  10.1002/jps.2600670408
• 作为试剂：
  描述：

  4-硝基苯基乙酸酯 在 phosphate buffer 、 borate buffer 、 acetate buffer 、 氯化筒箭毒碱 作用下， 以 乙腈 为溶剂， 生成 乙酸盐 、 4-硝基苯酚阴离子
  参考文献：
  名称：

  Godoy-Alcantar, Carolina; Nelen, Marina I.; Eliseev, Alexey V., Journal of the Chemical Society. Perkin Transactions 2 (2001), 1999, # 2, p. 353 - 361

  摘要：

  DOI：

文献信息

• Dopamine analog amide
  申请人：——

  公开号：US20010056116A1

  公开（公告）日：2001-12-27

  The invention involves the formation of a prodrug from a fatty acid carrier and a neuroactive drug. The prodrug is stable in the environment of both the stomach and the bloodstream and may be delivered by ingestion. The prodrug passes readily through the blood brain barrier. Once in the central nervous system, the prodrug is hydrolyzed into the fatty acid carrier and the drug to release the drug. In a preferred embodiment, the carrier is 4, 7, 10, 13, 16, 19 docosahexa-enoic acid and the drug is dopamine. Both are normal components of the central nervous system. The covalent bond between the drug and the carrier preferably is an amide bond, which bond may survive the conditions in the stomach. Thus, the prodrug may be ingested and will not be hydrolyzed completely into the carrier molecule and drug molecule in the stomach.

  该发明涉及使用脂肪酸载体和神经活性药物形成前药。该前药在胃和血液流动环境中稳定，并可通过口服递送。该前药容易穿过血脑屏障。一旦进入中枢神经系统，前药被水解成脂肪酸载体和药物以释放药物。在首选实施方式中，载体是4,7,10,13,16,19二十二碳六烯酸，药物是多巴胺。两者都是中枢神经系统的正常成分。药物和载体之间的共价键通常是酰胺键，这种键可以在胃的条件下存活。因此，前药可以被摄入，并且不会在胃中完全水解成载体分子和药物分子。
• Isoquinoline derivatives, their preparation and pharmaceutical compositions containing these compounds
  申请人：THE MASSACHUSETTS GENERAL HOSPITAL

  公开号：EP0010119A1

  公开（公告）日：1980-04-30

  Intermediate-duration reversible neuromuscular blocking agents of the formula (I) where B and C are preferably para or may be meta and are each where W is CH2 or most preferably CH = CH R1, R2, R3 and R4 are the same or different and are each hydrogen or lower alkoxy of 1 to 4 carbon atoms and preferably methoxy, Y is lower alkyl of 1 to 4 carbon atoms and preferably methyl, Z is hydrogen, lower alkyl of 1 to 4 carbon atoms, cyclopentyl, cyclohexyl, benzyl or where ALKYL has 1 to 4 carbon atoms preferably where the O-ALKYL is at the 2, 3, 4 or 5 positions such as 4-methoxy benzyl and is most preferably 3, 4-dimethoxy benzyl or 3, 4, 5-trimethoxybenzyl, n is 2, 3 or 4, mos preferably 2 or 3 provided that at least one of R1 to R4 is lower alkoxy and most preferably where R1 and R4 is hydrogen and R2 and R3 are methoxy and X is a pharmaceutically acceptable anion. The neuromuscular blocking agents of formula are useful for administration to a patient to cause skeletal muscle relaxion during surgery and are normally administered intravenously in a pharmaceutically acceptable carrier.

  式(I)的中效可逆性神经肌肉阻断剂 其中 B 和 C 优选为对位，也可以是元对位，且分别为 其中 W 是 CH2 或最优选 CH = CH R1、R2、R3 和 R4 相同或不同，各自是氢或 1 至 4 个碳原子的低级烷氧基，优选甲氧基；Y 是 1 至 4 个碳原子的低级烷基，优选甲基；Z 是氢、1 至 4 个碳原子的低级烷基、环戊基、环己基、苄基或 其中 ALKYL 具有 1 至 4 个碳原子，优选 O-ALKYL 位于 2、3、4 或 5 位，如 4-甲氧基苄基，最优选 3、4-二甲氧基苄基或 3、4、5-三甲氧基苄基，n 为 2、3 或 4，最优选 2 或 3，条件是 R1 至 R4 中至少有一个为低级烷氧基，最优选 R1 和 R4 为氢，R2 和 R3 为甲氧基，X 为药学上可接受的阴离子。 式中的神经肌肉阻断剂适用于在手术过程中给病人使用，以引起骨骼肌松弛，通常在药学上可接受的载体中静脉给药。
• 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。
• A anti-allergy anti-inflammatory composition comprising nimesulide and cetirizine
  申请人：Panacea Biotec Limited

  公开号：EP1005865A1

  公开（公告）日：2000-06-07

  A novel composition of Nimesulide and salts thereof and Cetrizine possessing antileukotriene, antihistaminic, antiallergic and antiinflammatory action is disclosed. The composition is useful in the cure of allergic disorders such as rhinitis, bronchitis, asthama, urticaria and the like.

  本发明公开了一种新型尼美舒利及其盐类与西曲嗪的组合物，该组合物具有抗白三烯、抗组胺、抗过敏和抗炎作用。该组合物可用于治疗鼻炎、支气管炎、哮喘、荨麻疹等过敏性疾病。
• FMO3 inhibitors for treating pain
  申请人：Akron Molecules GmbH

  公开号：EP2674161A1

  公开（公告）日：2013-12-18

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.

  本发明涉及治疗疼痛和相关疾病的新疗法，以及用于上述疗法的药物化合物。