3,4,5-三甲氧基苯甲酸(8-二乙氨基正辛基)酯盐酸盐 | 53464-72-5

• 物质功能分类: 化学试剂 - 有机试剂 - 叠氮
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4,5-三甲氧基苯甲酸(8-二乙氨基正辛基)酯盐酸盐
• 中文别名: 8-(二乙基氨基)辛基-3,4,5-三甲氧基苯甲酸加氢氯；TMB-8盐酸盐
• 英文名称: 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate;hydron;chloride
• 英文别名: 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate;hydron;chloride
• CAS: 53464-72-5
• 化学式: C22H38ClNO5
• mdl: MFCD00012502
• 分子量: 432.0
• InChiKey: KFJZVXKPPQIYCG-UHFFFAOYSA-N

物化性质

• 熔点：
  94-97 °C(lit.)
• 溶解度：
  氯仿（微溶）、甲醇（微溶）、水（微溶）
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  29
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.681
• 拓扑面积：
  58.4
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  29225000,2922509090

SDS

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Section 1. Chemical Product and Company Identification
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoaCtaetalog
Common Name/
Number(s).
Trade Name
Hydrochloride
CAS# 53464-72-5
Manufacturer
Commercial Name(s)
Synonym
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate
Hydrochloride

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Get medical attention if irritation occurs.
Skin Contact Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Serious Skin Contact Not available.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
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 Slightly flammable to flammable in presence of heat.
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 As with most organic solids, fire is possible at elevated temperatures.
Fire Hazards Material in powder form, capable of creating a dust explosion.
Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
Hazards explosion hazard.

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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.
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate
Hydrochloride

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
breathe dust. Keep away from incompatibles such as oxidizing agents.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area. Moisture sensitive. Sensitive to light.
Store in light-resistant containers. Refrigerate

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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. (Powdered solid.) Odor Not available.
Taste Not available.
Molecular Weight 432 g/mole
Color White to yellowish.
pH (1% soln/water) Not available.
Boiling Point Not available.
92°C (197.6°F) - 94 C.
Melting Point
Critical Temperature Not available.
Specific Gravity Not available.
Vapor Pressure Not applicable.
Vapor Density Not available.
Volatility Not available.
Odor Threshold Not available.
Not available.
Water/Oil Dist. Coeff.
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.
Not available.
Instability Temperature
Conditions of Instability Excess heat, incompatible materials
Incompatibility with various Reactive with oxidizing agents.
substances
Corrosivity Not available.
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate
Hydrochloride
Not available.
Special Remarks on
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization Will not occur.

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

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

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate
Hydrochloride

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Section 15. Other Regulatory Information and Pictograms
Federal and State No products were found.
Regulations
California California prop. 65: This product contains the following ingredients for which the State of California has found
Proposition 65 to cause cancer which would require a warning under the statute: No products were found.
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found
to cause birth defects which would require a warning under the statute: No products were found.
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS no.
258-574-5)
Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List
(NDSL).
China: Not listed on National Inventory.
Japan: Not listed on National Inventory (ENCS).
Korea: Not listed on National Inventory (KECI).
Philippines: Not listed on National Inventory (PICCS).
Australia: Not listed on AICS.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC) This product is not classified according Not applicable.
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.
8-(Diethylamino)octyl-3,4,5-trimethoxybenzoate
Hydrochloride
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

TMB-8•HCl是一种蛋白激酶C(PKC)抑制剂，同时具有细胞内Ca²⁺拮抗剂的功能。它能有效区分细胞内的Ca²⁺与细胞外的Ca²⁺。此外，TMB-8还表现出对Ca²+通道和Na⁺通道的粘附性能，并能够降低膜上的K⁺电导率。

研究表明，在豚鼠体内，TMB-8可非特异性地抑制心室心肌细胞膜电流，并能阻断5-羟色胺3A(5-HT3A, SR-3A)受体介导引起的电流。在Kupffer细胞中，TMB-8能够抑制血小板激活因子（PAF）和PMA引起的前列腺素生成。

文献信息

• Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby
  申请人：Chatterjee-Kishore Moitreyee

  公开号：US20060252045A1

  公开（公告）日：2006-11-09

  The invention discloses compositions, compounds, apparatuses and methods of using them to study bone mineralization and identify agents that regulate bone mineralization. Methods of using bone mineralization gene profiles and signatures for compound screening and research are also disclosed. Reagents for modulating bone mineralization are provided for both therapeutic and research usage.

  本发明揭示了用于研究骨矿化和鉴定调节骨矿化的药物的组合物、化合物、装置和使用方法。还揭示了使用骨矿化基因谱和签名进行化合物筛选和研究的方法。提供了用于调节骨矿化的试剂，可用于治疗和研究。
• 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。
• Point mutant mice with hypersensitive alpha 4 nicotinic receptors: dompaminergic pathology and increased anxiety
  申请人：——

  公开号：US20020104107A1

  公开（公告）日：2002-08-01

  The present invention relates to transgenic animals expressing a hypersensitive nicotinic acetylcholine receptor. Transgenic animals have point mutations in the nucleic acid sequence encoding the &agr;4 subunit of the receptor that result in increased sensitivity to nicotine. Such transgenic animals are model systems for nicotine addiction and certain types of epilepsy.

  本发明涉及表达超敏尼古丁乙酰胆碱受体的转基因动物。转基因动物编码该受体&agr;4亚基的核酸序列发生点突变，导致对尼古丁的敏感性增加。这种转基因动物是尼古丁成瘾和某些类型癫痫的模型系统。
• Treatment of neurodegenerative disease
  申请人：——

  公开号：US20030060487A1

  公开（公告）日：2003-03-27

  In some aspects, the invention relates to treatments for peptide aggregation associated with disease states such as neurodegenerative disease, particularly physiology associated with Alzheimer's Disease, and non-neurodegenerative disease aggregation. Other aspects of the invention provide a variety of novel assays for screening candidate drugs. Yet other aspects of the present invention provide a series of compositions useful for treatment of peptide aggregation associated with disease states such as neurodegenerative disease, as determined from these assays. These compositions can be packaged in kits. Other aspects of the invention relate to the use of these compositions for the treatment and/or prevention of patients susceptible to or exhibiting symptoms characteristic of fibril formation or aberrant protein aggregation.

  在某些方面，本发明涉及与神经退行性疾病（尤其是与阿尔茨海默氏症相关的生理学疾病）等疾病状态有关的肽聚集以及非神经退行性疾病聚集的治疗方法。本发明的其他方面提供了多种用于筛选候选药物的新型检测方法。本发明的其他方面还提供了一系列用于治疗与神经退行性疾病等疾病状态相关的肽聚集的组合物，这些组合物是通过这些检测方法确定的。这些组合物可以包装成试剂盒。本发明的其他方面涉及使用这些组合物治疗和/或预防易患或表现出纤维形成或异常蛋白聚集特征症状的患者。
• Ncam binding compounds
  申请人：Biilmann Christian Ronn Lars

  公开号：US20050222041A1

  公开（公告）日：2005-10-06

  The present invention concerns an NCAM (neural cell adhesion molecule) binding peptide capable of stimulating NCAM signalling and/or interfering with cell adhesion. The compound may be used for the treatment of diseases or conditions of the central and peripheral nervous system.

  本发明涉及一种能够刺激 NCAM 信号和/或干扰细胞粘附的 NCAM（神经细胞粘附分子）结合肽。该化合物可用于治疗中枢和外周神经系统的疾病或病症。

表征谱图