inositol hexanicotinate | 6556-11-2

• 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 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: inositol hexanicotinate
• 英文别名: Hexanicit；inositol nicotinate；inositol hexnicotinate；inositol niacinate；IHN；hexa-O-nicotinoyl-myo-inositol
• CAS: 6556-11-2
• 化学式: C₄₂H₃₀N₆O₁₂
• 分子量: 810.733
• InChiKey: MFZCIDXOLLEMOO-GYSGTQPESA-N

物化性质

• 熔点：
  254-256 °C(lit.)
• 沸点：
  755.54°C (rough estimate)
• 密度：
  1.3348 (rough estimate)
• 溶解度：
  酸水溶液（微溶、加热）、DMSO（微溶、加热、超声处理）
• LogP：
  3.945 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.72
• 重原子数：
  60.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  235.14
• 氢给体数：
  0.0
• 氢受体数：
  18.0

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  2
• 危险品运输编号：
  25kgs
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  -20℃

SDS

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Section 1. Chemical Product and Company Identification
Inositol hexanicotinate Catalog
Common Name/
Number(s).
Trade Name
CAS# 6556-11-2
Manufacturer
RTECS NM7535400
SPECTRUM CHEMICAL MFG. CORP.
TSCA TSCA 8(b) inventory: No
products were found.
Commercial Name(s) Not available.
CI# Not available.
Synonym Hexanicotinyl cis-1,2,3,5-trans-4,6-cyclohexane
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical Family Not available. CALL [phone]
C42H30N6O12
Chemical Formula
SPECTRUM CHEMICAL MFG. CORP.

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Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3) STEL (mg/m3) CEIL (mg/m3)
Name CAS # % by Weight
1) Inositol hexanicotinate 6556-11-2 100
Toxicological Data Not applicable.
on Ingredients

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Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
inhalation.
Potential Chronic Health Hazardous in case of ingestion.
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.
Effects
CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Inositol hexanicotinate

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Section 4. First Aid Measures
Eye Contact No known effect on eye contact, rinse with water for a few minutes.
Skin Contact After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
clothing before reusing.
Serious Skin Contact Not available.
Inhalation Allow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious Inhalation Not available.
Ingestion Do not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not
breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash Points Not available.
Flammable Limits Not available.
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Products of Combustion
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various Substances Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Not available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Inositol hexanicotinate

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe dust.
Storage Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spill to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Solid. Not available.
Odor
Taste Not available.
Molecular Weight 810.7 g/mole
Color Not available.
pH (1% soln/water) Not available.
Boiling Point Decomposes.
Melting Point 254.5°C (490.1°F)
Critical Temperature Not available.
Not available.
Specific Gravity
Vapor Pressure Not applicable.
Not available.
Vapor Density
Volatility Not available.
Not available.
Odor Threshold
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Not available.
Dispersion Properties
Solubility Not available.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Instability Temperature Not available.
Conditions of Instability Not available.
Incompatibility with various Not available.
substances
Corrosivity Non-corrosive in presence of glass.
Inositol hexanicotinate
Not available.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
Polymerization No.

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Section 11. Toxicological Information
Routes of Entry Ingestion.
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects on
Hazardous in case of ingestion.
Humans Slightly hazardous in case of skin contact (irritant), of inhalation.
Special Remarks on
Not available.
Toxicity to Animals
Special Remarks on Not available.
Chronic Effects on Humans
Special Remarks on other Not available.
Toxic Effects on Humans

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Section 12. Ecological Information
Ecotoxicity Not available.
Not available.
BOD5 and COD
Possibly hazardous short term degradation products are not likely. However, long term degradation products may
Products of Biodegradation
arise.
Toxicity of the Products The products of degradation are more toxic.
of Biodegradation
Special Remarks on the Not available.
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Identification Not applicable.
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)
Inositol hexanicotinate

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Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: No products were found.
Federal and State
Regulations
California
Proposition 65
Warnings
Other Regulations Not available..
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) This product is not classified according
to the EU regulations.
Health Hazard
HMIS (U.S.A.) 1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
Safety glasses.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

烟酸肌醇酯的化学名称为六烟酸-顺-1,2,3,5-反-4,6-环己烷，又被称为肌醇烟酸酯、烟肌酯、烟酸肌醇、肌醇六烟酸酯或心血通注射液等。它具有降低胆固醇和扩张末梢血管的作用，常用于治疗高胆固醇血症及动脉粥样硬化症。临床上主要用于高脂血症、冠心病以及各种末梢血管障碍性疾病（如闭塞性动脉硬化症、肢端动脉痉挛症、冻伤、血管性偏头痛等）的辅助治疗。

应用

肌醇烟酸酯适用于高血压、动脉粥样硬化及各种末梢血管障碍性疾病的辅助治疗。

药理作用

该药物从胃肠道吸收后，在体内缓慢代谢，逐渐水解为烟酸和肌醇。通过这两种物质的作用，能缓和且持久地舒张外周血管，改善脂质代谢异常，溶解纤维蛋白及血栓，并具有一定的抗凝效果。对于高脂蛋白血症的适应证与烟酸相似，可作为辅助治疗；并可用于冠心病及各种末梢血管痉挛性疾病（如闭塞性动脉硬化症、肢端动脉痉挛症、偏头痛等）的辅助治疗。

临床应用

肌醇烟酸酯是一种温和的周围血管扩张剂，具有降低胆固醇和扩张末梢血管的作用。它适用于高胆固醇血症及动脉粥样硬化的辅助用药和营养性食品添加剂。该药物在体内逐渐水解为烟酸和肌醇，因此兼具这两种物质的药理作用。肌醇烟酸酯具降脂作用，其血管扩张作用较烟酸更为缓和且持久，不会引起服用后出现的潮红及胃部不适等副作用。

用途

• 降血脂药：用于降低胆固醇及扩张末梢血管。
• 生化研究：适用于相关生化研究。

反应信息

• 作为反应物：
  描述：

  inositol hexanicotinate 在 Pancreatin phosphate buffer 作用下， 反应 40.0h， 生成 烟酸
  参考文献：
  名称：

  WO2008/106227

  摘要：

  公开号：
• 作为产物：
  描述：

  烟酸 在 吡啶 、 五氯化磷 作用下， 反应 3.0h， 生成 inositol hexanicotinate
  参考文献：
  名称：

  Synthesis of complex esters of myoinositol and analysis of their antiischemic activity

  摘要：

  DOI：

  10.1007/bf00779916

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。
• 5-HT RECEPTOR MODULATORS
  申请人：Kapadnis Prashant Bhimrao

  公开号：US20130053372A1

  公开（公告）日：2013-02-28

  The invention relates to compounds of formula (I), useful for treating disorders mediated by the 5-hydroxytryptamine (serotonin) receptor IB (5-HT1B), e.g. vascular disorders, cancer and CNS disorders. The invention also provides methods of treating such disorders, and compounds and compositions etc. for their treatment.

  本发明涉及式(I)化合物，用于治疗由5-羟基色胺（血清素）受体IB（5-HT1B）介导的疾病，例如血管疾病、癌症和CNS疾病。本发明还提供了治疗这些疾病的方法，以及用于治疗的化合物和组合物等。
• GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS
  申请人：South Dakota Board of Regents

  公开号：US20200048305A1

  公开（公告）日：2020-02-13

  The present invention describes compositions containing cholesterol-linker-glutathione conjugates for targeting the brain by overcoming barrier entry to the CNS through the blood brain barrier (BBB), including micelle and liposome forms of such compositions. In addition, methods for treating subjects by administering such compositions are also disclosed.

  本发明描述了含有胆固醇-连接剂-谷胱甘肽共轭物的组合物，通过克服血脑屏障（BBB）进入中枢神经系统的屏障入口，包括这些组合物的胶束和脂质体形式。此外，还公开了通过给予这些组合物治疗受试者的方法。
• 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。

表征谱图