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正戊酸

正戊酸用途

Pentanoic acid 是一种短链脂肪酸,是细菌代谢产物,与过敏性皮肤病有关系。Pentanoic acid 能够激活 ROCK 信号通路。

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正戊酸名称

[ CAS 号 ]:
109-52-4

[ 中文名 ]:
缬草酸

[ 英文名 ]:
Pentanoic acid

[中文别名 ]:

[英文别名 ]:

Valeric Acid, Reagent
PENTANOIC ACID 100 ML
3-(methylsulfanyl)propanoic acid
N-Valeric Acid
EINECS 203-677-2
Valeric acid
N-Valeric Acid(Pentanoic Acid)
N-VALERICACID(PENTANOICACID)
VALERIC ACID(SG)
VALERIC ACID/PENTANOIC ACID

正戊酸生物活性

[ 描述 ]:

Pentanoic acid 是一种短链脂肪酸,是细菌代谢产物,与过敏性皮肤病有关系。Pentanoic acid 能够激活 ROCK 信号通路。

[ 相关类别 ]:

信号通路 >> 细胞周期/DNA损伤 >> 岩石

信号通路 >> 干细胞及 Wnt 通路 >> 岩石

信号通路 >> TGF-beta/Smad 信号通路 >> 岩石

天然产物 >> 酸和醛

研究领域 >> 炎症/免疫

[ 靶点 ]

Human Endogenous Metabolite

ROCK

[体外研究]

戊酸是一种短链脂肪酸,是细菌代谢的产物,与过敏性皮肤病有关。戊二酸(0-2mM)强烈且剂量依赖性地诱导PAM212细胞中的胸腺基质淋巴细胞生成素(TSLP)产生。戊酸稍微诱导Tnfa,Il1b和Il6 mRNA的表达,但不诱导TNF-α表达的蛋白质水平。角质形成细胞中戊二酸(2mM)诱导的TSLP产生与FFAR2和FFAR3无关,但是通过激活ROCK信号通路介导,并且通过共抑制Gq/11和ROCK信号传导途径而被竞争性抑制[1]。

[细胞实验]

PAM212鼠角质形成细胞衍生自BALB / c小鼠皮肤。将PAM212细胞培养在含有10％热灭活胎牛血清，青霉素G（15μg/ mL）和链霉素（50μg/ mL）的α最低必需培养基中，在37％的5％CO2 / 95％空气湿润气氛中培养。 C。以50,000细胞/ mL接种的细胞在培养基中生长24小时。用戊酸刺激细胞一段适当的时间。 Y-27632是一种高效选择性Rho相关的含有卷曲螺旋的蛋白激酶（ROCK）抑制剂，可进行预处理1小时，而YM-254890是一种特殊的Gq / 11抑制剂，可进行预处理出30分钟[1]。

[参考文献]

[1]. Mizuno N, et al. Pentanoic acid induces thymic stromal lymphopoietin production through Gq/11 and Rho-associated protein kinase signaling pathway in keratinocytes. Int Immunopharmacol. 2017 Sep;50:216-223.

[相关活性小分子]

正戊酸物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
185.3±3.0 °C at 760 mmHg

[ 熔点 ]:
−20-−18 °C(lit.)

[ 分子式 ]:
C₅H₁₀O₂

[ 分子量 ]:
102.132

[ 闪点 ]:
88.9±0.0 °C

[ 精确质量 ]:
102.068077

[ PSA ]:
37.30000

[ LogP ]:
1.31

[ 外观性状 ]:
透明淡米色液体

[ 蒸汽密度 ]:
3.5 (vs air)

[ 蒸汽压 ]:
0.5±0.4 mmHg at 25°C

[ 折射率 ]:
1.421

[ 储存条件 ]:
包装完整、轻装轻卸,库房通风、远离明火、高温、与氧化剂、碱分开存放

[ 水溶解性 ]:
40 g/L (20 ºC)

正戊酸MSDS

详细MSDS(安全技术说明书)

正戊酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV6100000

CHEMICAL NAME :: Valeric acid

CAS REGISTRY NUMBER :: 109-52-4

BEILSTEIN REFERENCE NO. :: 0969454

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C5-H10-O2

MOLECULAR WEIGHT :: 102.15

WISWESSER LINE NOTATION :: QV4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,119,1982

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4100 mg/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,119,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3590 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3590 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1290 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961 *** REVIEWS *** TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84212 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 497 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84212 No. of Facilities: 79 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 4510 (estimated) No. of Female Employees: 780 (estimated)

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正戊酸安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H302-H314-H412

[ 警示性声明 ]:
P273-P280-P301 + P312 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
C:Corrosive

[ 风险声明 (欧洲) ]:
R34;R52/53

[ 安全声明 (欧洲) ]:
S26-S36-S45-S61

[ 危险品运输编码 ]:
UN 3265 8/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
YV6100000

[ 包装等级 ]:
III

[ 危险类别 ]:
8

[ 海关编码 ]:
2915600000

正戊酸合成路线

详细合成路线

正戊酸上下游产品

正戊酸上游产品

正戊酸下游产品

正戊酸制备

1.正戊醇经电解氧化而得。也可用甲酸与1-丁烯反应生成正戊酸。

精制方法：蒸馏除去水分，温度达183℃时加入水量固体高锰酸钾回流后继续蒸馏。也可减压蒸馏精制。

2. 烟草：OR，44， 49；BU，56；OR，26；FC，9， 18， 40；BU，9。

3.制法：

于装有搅拌器、温度计、滴液漏斗的反应瓶中，加入研细的高锰酸钾120g（0.76mol），水50mL，氢氧化钠21.5g（0.53mol），搅拌下于1.5h内慢慢滴加戊醇（2）50g（0.57mol），注意同时反应瓶中加入约800g碎冰，以保持反应液温度在18～24℃之间。加完后继续搅拌反应1h，而后室温放置12h。抽滤。滤饼用热水洗涤。合并滤液和洗涤液减压浓缩至150mL，冷却后用130g冷的50%的硫酸调至对刚果红试纸呈酸性。分出有机层，水层用四氯化碳提取2次，每次20mL。合并有机层，无水硫酸钠干燥，蒸出溶剂后，收集184～187℃的馏分，得戊酸（1）41g，收率70.8%。

^4.制法：

于装有搅拌器、回流冷凝器的反应瓶中，加入戊腈（2）100g（1.2mol），250mL水，氢氧化钠92g。搅拌下加热回流，直至腈层消失，约需5～10h。再加入100mL水，冷却下慢慢加入50%的硫酸使反应液呈酸性。分出上层有机层，无水硫酸钠干燥，蒸馏，收集183～184℃的馏分，得戊酸^①（1）82g，收率67%。注：①水层用乙醚提取，蒸馏，可得到约5g的戊酸。

^5.制法：

参照上述2-甲基丁酸的制备方法，用镁屑12.2g（0.51mol），一粒碘和正丁基溴（2）69g（54mL，0.5mol）、250mL无水乙醚首先制备Grigard试剂，而后与125g干冰反应，处理方法同上，收集182～185℃的馏分，得戊酸（1）25g，收率49%。

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正戊酸海关

[ 海关编码 ]: 2915600000

[ 中文概述 ]:
HS:2915600000 丁酸、戊酸及其盐和酯增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

正戊酸文献

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

GC/MS method for determining carbon isotope enrichment and concentration of underivatized short-chain fatty acids by direct aqueous solution injection of biogas digester samples.

Talanta 143 , 56-63, (2015)

In anaerobic digestion of organic matter, several metabolic pathways are involved during the simultaneous production and consumption of short-chain fatty acids (SCFA) in general and acetate in particu...

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Drug Metab. Dispos. 38 , 2302-8, (2010)

Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti...

更多文献

正戊酸

正戊酸用途

正戊酸名称

正戊酸生物活性

正戊酸物理化学性质

正戊酸MSDS

详细MSDS(安全技术说明书)

正戊酸毒性和生态

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

正戊酸安全信息

正戊酸合成路线

详细合成路线

正戊酸上下游产品

正戊酸上游产品

正戊酸下游产品

正戊酸制备

正戊酸海关

正戊酸文献

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