烟酸占替诺 | 437-74-1

• 物质功能分类: 原料药 - 循环系统用药 - 周围血管扩张药
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 烟酸占替诺
• 中文别名: 7-[2-羟基-3-(2-羟乙基-甲胺基)丙基]苯碱烟酸盐；7-[2-羟基-3-(2-羟乙基-甲胺基)丙基]-1,3-二甲基-嘌呤-2,6-二酮烟酸盐；脑康；7-[3-[(2-羟乙基)甲氨基]-2-羟丙基]茶碱尼古丁酸酯；尼可占替诺；脑脉康；烟胺羟丙茶碱
• 英文名称: xanthinol nicotinate
• 英文别名: Xanthinolnicotinat；Contamex；Xanthinol niacinate；7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
• CAS: 437-74-1
• 化学式: C₆H₅NO₂*C₁₃H₂₁N₅O₄
• mdl: MFCD00058342
• 分子量: 434.452
• InChiKey: GEPMAHVDJHFBJI-UHFFFAOYSA-N

物化性质

• 熔点：
  180°
• 溶解度：
  可微溶于水

计算性质

• 辛醇/水分配系数(LogP)：
  -1.85
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.421
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  9

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  2
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319
• 储存条件：
  -20℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Xanthinol nicotinate
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: Xanthinol nicotinate
CAS number: 437-74-1

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C13H21N5O4.C6H5NO2
Molecular weight: 434.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

性状

本品为白色结晶或结晶性粉末；无臭，无味。

特点

本品在水中或冰醋酸中易溶，在无水乙醇或三氯甲烷中极微溶解。

熔点

本品的熔点（2010年版药典二部附录Ⅵ C）为180～184℃。

用途

烟酸占替诺适用于治疗脑血管障碍性疾病（如脑血栓形成、脑栓塞、脑外伤后遗症、脑手术后遗症、中风后遗症、颈动脉阻塞所致的缺氧性脑软化症、老年脑功能障碍等）、冠心病、狭心症、心肌梗塞后（预防复发）、心肌炎、偏头痛、耳病性眩晕症、肢端动脉痉挛症、间歇跛行症、糖尿病性坏疽、血栓性静脉炎、静脉曲张溃疡、肺栓塞、褥疮、冻疮和高血脂等。

用法及用量：口服，每次0.1～0.2g，每日3次，饭后服用。静滴：第1日300mg；第2～6日每日使用600mg；第7～14日每日900mg，溶于10%葡萄糖液500ml中。每疗程共35支。

不良反应和注意

偶见口干、面潮红、唇发麻、胸闷、皮疹及皮肤痒感等。

禁忌

1. 心肌梗死、二尖瓣狭窄及代偿功能障碍的心功能不全者禁用。
2. 出血性脑血管病急性期患者禁用。
3. 急性出血性疾病患者禁用。

参考资料

• [百度百科](http://baike.baidu.com/link?url=0BdpctsLwUljIDIkp7c1_h0rr- IfM3Hdm2aFJBgjVSXfUILDHO8XbAG46PPToKntA-e1SPcNGbXvNpSTCgiOZ9NfLiCSSsOk9ZXcPLxLn1TKpFk3QC7gL5Xsplf4G3HB63AicktlDX9L0EzJpkX2GK)
• 烟酸占替诺

用途

适用于脑血栓形成等缺血性脑血管疾病及中风后遗症。

用途

血管扩张剂，用于治疗脑功能障碍、脑血栓形成等脑血管疾病。

反应信息

• 作为产物：
  描述：

  茶碱 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 73.5h， 生成 烟酸占替诺
  参考文献：
  名称：

  对映体富集的二丙茶碱和烟酸黄嘌呤醇的化学酶法合成

  摘要：

  首次报道了一种针对富含对映体的活性药物成分 (API)——diprophylline 和 xanthinol nicotinate 的简明化学酶途径。的决定性步骤是外消旋氯醇合成子乙酸盐，即1-氯-3-（1,3-二甲基-2,6-二氧代-1,2,3,6-四氢-7-的对映选择性脂肪酶介导的甲醇分解ħ - purin-7-yl)propan-2-yl醋酸盐，在动力学控制条件下进行，制备规模为 500 mg。使用来自南极念珠菌的B 型脂肪酶进行对映异构体拆分，在反应对映选择性方面获得了最佳结果 ( E = 14)固定在丙烯酸树脂（CAL-B，Novozym 435）上，悬浮在同相乙腈-甲醇混合物中。精心设计的生物催化系统提供了关键的氯醇中间体（71% ee 和 38% 产率），然后将其顺利转化为富含对映体的活性剂：( R )-(-)-diprophylline (57% ee) 和 ( S )-(

  DOI：

  10.1016/j.bioorg.2020.104448

文献信息

• Dibenzyl Amine Compounds and Derivatives
  申请人：Chang George

  公开号：US20070213371A1

  公开（公告）日：2007-09-13

  Dibenzyl amine compounds and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  二苯基胺化合物及其衍生物，含有这种化合物的药物组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物，包括人类。
• SUBSTITUTED AMIDE COMPOUNDS
  申请人：Pfizer Inc.

  公开号：US20140315928A1

  公开（公告）日：2014-10-23

  The present invention is directed at substituted amide compounds, pharmaceutical compositions containing such compounds and the use of such compounds to reduce plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans.

  本发明涉及替代酰胺化合物，含有这种化合物的药物组合物以及利用这种化合物降低血浆脂质水平，如LDL-胆固醇和甘油三酯，并据此治疗由高水平的LDL-胆固醇和甘油三酯加重的疾病，如动脉粥样硬化和心血管疾病，在哺乳动物，包括人类中的应用。
• Tyrosine kinase inhibitors
  申请人：——

  公开号：US20020137755A1

  公开（公告）日：2002-09-26

  The present invention relates to compounds which inhibit, regulate and/or modulate tyrosine kinase signal transduction, compositions which contain these compounds, and methods of using them to treat tyrosine kinase-dependent diseases and conditions, such as angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals.

  本发明涉及抑制、调节和/或调控酪氨酸激酶信号传导的化合物，含有这些化合物的组合物，以及使用它们治疗依赖于酪氨酸激酶的疾病和病况的方法，如在哺乳动物中的血管生成、癌症、肿瘤生长、动脉粥样硬化、老年性黄斑变性、糖尿病视网膜病变、炎症性疾病等。
• [EN] NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS<br/>[FR] PROMÉDICAMENTS D'AGENTS THÉRAPEUTIQUES LIBÉRANT DE L'OXYDE NITRIQUE
  申请人：SATYAM APPARAO

  公开号：WO2014111957A1

  公开（公告）日：2014-07-24

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents wherein the drug or therapeutic agents contain at least one carboxylic acid group. The invention also relates to processes for the preparation of these nitric oxide releasing prodrugs, to pharmaceutical compositions containing them and to methods of using these prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其中所述药物或治疗剂至少含有一个羧酸基团。发明还涉及制备这些一氧化氮释放前药的方法，包含它们的药物组合物以及使用这些前药的方法。
• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。