6556-11-2

• 常用中文名：肌醇烟酸酯
• 常用英文名：inositol nicotinate
• CAS号：6556-11-2
• 分子式：C₄₂H₃₀N₆O₁₂
• 分子量：810.721
• 相关类别： 原料药 循环系统用药 周围血管扩张药
• 发布时间：2018-09-18 16:47:48
• 更新时间：2024-01-02 18:42:12
• 烟酸肌醇具有血管扩张作用,用于研究外周动脉疾病(PAD)[1]。

名称

• 中文名: 肌醇烟酸酯
• 英文名: inositol hexanicotinate
• 中文别名: 烟酸肌醇; 烟酸肌醇酯
• 英文别名: EINECS 229-485-9; Dilcit; 1,2,3,4,5,6-Cyclohexanehexayl hexanicotinate; inositol hexanicotinate; Esantene; Inositol Niacinate; Inositoli nicotinas; Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate; Dilexpal; MFCD00006387; inositol hexnicotinate; hexa-O-nicotinoyl-myo-inositol; Hexanicotinyl cis-1,2,3,5-trans-4,6-Cyclohexane; Palohex; Linodil; inositol nicotinate; hexanicotinoyl inositol; 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester; Mesotal; Hexanicit; Mesonex; Hexopal; myo-lnositol Hexa-3-pyridinecarboxylate; hexa-3-pyridinecarboxylate; myo-Inositol hexanicotinate; [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate; Hexa-O-nicotinoyl-myo-inosit; Hexanicotol; Hamovannad; meso-Inositol Hexanicotinate

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 897.0±65.0 °C at 760 mmHg
• 熔点: 254-256ºC
• 分子式: C₄₂H₃₀N₆O₁₂
• 分子量: 810.721
• 闪点: 496.3±34.3 °C
• 精确质量: 810.192200
• PSA: 235.14000
• LogP: 6.37
• 外观性状: 白色粉末
• 蒸汽压: 0.0±0.3 mmHg at 25°C
• 折射率: 1.675
• 储存条件: -20℃

生物活性

• 描述: 烟酸肌醇具有血管扩张作用,用于研究外周动脉疾病(PAD)[1]。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. H Squires, et al. A systematic review and economic evaluation of cilostazol, naftidrofuryl oxalate, pentoxifylline and inositol nicotinate for the treatment of intermittent claudication in people with peripheral arterial disease. NIHR Health Technology Assessment programme: Executive Summaries.

MSDS

Section 1. Chemical Product and Company Identification Inositol hexanicotinateCatalog Common Name/ Number(s). Trade Name CAS#6556-11-2 Manufacturer RTECSNM7535400 SPECTRUM CHEMICAL MFG. CORP. TSCATSCA 8(b) inventory: No products were found. Commercial Name(s)Not available. CI# Not available. SynonymHexanicotinyl cis-1,2,3,5-trans-4,6-cyclohexane IN CASE OF EMERGENCY Not available. Chemical Name Chemical FamilyNot available.CALL (310) 516-8000 C42H30N6O12 Chemical Formula SPECTRUM CHEMICAL MFG. CORP. Section 2.Composition and Information on Ingredients Exposure Limits TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3) NameCAS #% by Weight 1) Inositol hexanicotinate6556-11-2100 Toxicological DataNot applicable. on Ingredients 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 HealthHazardous 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 Section 4. First Aid Measures Eye ContactNo known effect on eye contact, rinse with water for a few minutes. Skin ContactAfter 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 ContactNot available. InhalationAllow the victim to rest in a well ventilated area. Seek immediate medical attention. Serious InhalationNot available. IngestionDo 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 IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot 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 SubstancesRisks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onNot available. Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillUse 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 Section 7. Handling and Storage PrecautionsKeep 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. StorageKeep 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. Section 8. Exposure Controls/Personal Protection Engineering ControlsUse 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 ProtectionSafety 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 Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid.Not available. Odor TasteNot available. Molecular Weight810.7 g/mole ColorNot available. pH (1% soln/water)Not available. Boiling PointDecomposes. Melting Point254.5°C (490.1°F) Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Not available. Vapor Density VolatilityNot available. Not available. Odor Threshold Water/Oil Dist. Coeff.Not available. Ionicity (in Water)Not available. Not available. Dispersion Properties SolubilityNot available. Section 10. Stability and Reactivity Data StabilityThe product is stable. Instability TemperatureNot available. Conditions of InstabilityNot available. Incompatibility with variousNot available. substances CorrosivityNon-corrosive in presence of glass. Inositol hexanicotinate Not available. Special Remarks on Reactivity Not available. Special Remarks on Corrosivity PolymerizationNo. Section 11. Toxicological Information Routes of EntryIngestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects on Hazardous in case of ingestion. HumansSlightly hazardous in case of skin contact (irritant), of inhalation. Special Remarks on Not available. Toxicity to Animals Special Remarks onNot available. Chronic Effects on Humans Special Remarks on otherNot available. Toxic Effects on Humans Section 12. Ecological Information EcotoxicityNot 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 ProductsThe products of degradation are more toxic. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste Disposal Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Not applicable. Special Provisions for Transport DOT (Pictograms) Inositol hexanicotinate Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: No products were found. Federal and State Regulations California Proposition 65 Warnings Other RegulationsNot 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. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NM7535400 CHEMICAL NAME : Inositol, hexanicotinate, myo- CAS REGISTRY NUMBER : 6556-11-2 BEILSTEIN REFERENCE NO. : 0077649 LAST UPDATED : 199612 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C42-H30-N6-O12 MOLECULAR WEIGHT : 810.78 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >20 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1180 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 268 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >30 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 6400 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 345 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• WGK德国: 2
• RTECS号: NM7535400
• 海关编码: 2933990090

合成路线

87-89-8 20260-53-1 ~% 6556-11-2

文献：Journal of the American Chemical Society, , vol. 69, p. 2907

59-67-6 ~% 6556-11-2

文献：Pharmaceutical Chemistry Journal, , vol. 27, # 8 p. 562 - 565 Khimiko-Farmatsevticheskii Zhurnal, , vol. 27, # 8 p. 24 - 27

10400-19-8 87-89-8 ~% 6556-11-2

文献：Pharmaceutical Chemistry Journal, , vol. 27, # 8 p. 562 - 565 Khimiko-Farmatsevticheskii Zhurnal, , vol. 27, # 8 p. 24 - 27

上下游产品

上游产品  4
87-89-8 20260-53-1 59-67-6 10400-19-8
下游产品  1
59-67-6

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%