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4-羟苯基丙酮酸

4-羟苯基丙酮酸用途

三、用途

用于生化研究。酶抑制剂。

4-羟苯基丙酮酸名称

[ CAS 号 ]:
156-39-8

[ 中文名 ]:
4-羟苯基丙酮酸

[ 英文名 ]:
4-Hydroxyphenylpyruvic acid

[中文别名 ]:

[英文别名 ]:

MFCD00002591
EINECS 205-852-9
3-(4-hydroxyphenyl)-2-oxopropanoic acid
4-Hydroxyphenylpyruvic acid

4-羟苯基丙酮酸生物活性

[ 描述 ]:

4-Hydroxyphenylpyruvic acid 是苯丙氨酸代谢的中间产物。

[ 相关类别 ]:

天然产物 >> 其他

研究领域 >> 其他

[ 靶点 ]

Human Endogenous Metabolite

[参考文献]

[1]. Brand LM, et al. Effect of glucagon on phenylalanine metabolism and phenylalanine-degrading enzymes in the rat. Biochem J. 1974 Aug;142(2):231-45.

[相关活性小分子]

4-羟苯基丙酮酸物理化学性质

[ 密度 ]:
1.397 g/cm3

[ 沸点 ]:
380.8ºC at 760 mmHg

[ 熔点 ]:
219-220 °C (dec.)(lit.)

[ 分子式 ]:
C₉H₈O₄

[ 分子量 ]:
180.15700

[ 闪点 ]:
198.3ºC

[ 精确质量 ]:
180.04200

[ PSA ]:
74.60000

[ LogP ]:
0.58840

[ 外观性状 ]:
灰白色至黄褐色的结晶

[ 蒸汽压 ]:
0mmHg at 25°C

[ 折射率 ]:
1.705

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
slightly soluble

4-羟苯基丙酮酸MSDS

4-羟苯基丙酮酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UZ1000000

CHEMICAL NAME :: Pyruvic acid, p-hydroxyphenyl-

CAS REGISTRY NUMBER :: 156-39-8

BEILSTEIN REFERENCE NO. :: 2691632

LAST UPDATED :: 199803

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C9-H8-O4

MOLECULAR WEIGHT :: 180.17

WISWESSER LINE NOTATION :: QVV1R DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 gm/kg/10D-C

TOXIC EFFECTS :: Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)

REFERENCE :: JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 gm/kg/10D-C

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)

REFERENCE :: JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg/8W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors

REFERENCE :: VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 22(6),47,1976

4-羟苯基丙酮酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi: Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S37/39

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
UZ1000000

[ 海关编码 ]:
2918990090

4-羟苯基丙酮酸合成路线

4-羟苯基丙酮酸上下游产品

4-羟苯基丙酮酸上游产品

4-羟苯基丙酮酸下游产品

4-羟苯基丙酮酸制备

1.制法：

对羟基苯基醛缩海因（4）：于圆底烧瓶中加入对羟基苯甲醛（2）6.11g（0.05mol），海因（3）5.5g（0.055mol），干燥的哌啶10mL，装上回流冷凝器（装氯化钙干燥管）。油浴慢慢加热至130℃，反应30min。其间出现泡沫并沸腾。冷却，加入60℃的水200mL。搅拌直至生成清液。过滤，滤液冷却下用约20mL浓盐酸酸化。室温放置数小时。过滤生成的黄色沉淀，冷水洗涤。于盛有氢氧化钾的真空干燥器中干燥，得粗品（4）8.5～8.8，收率83%～86%，mp310～315℃。直接用于下一步反应。对羟基苯基丙酮酸（1）：于装有搅拌器、回流冷凝器、滴液漏斗、通气导管的反应瓶中，加入化合物（4）8.5g（0.042mol），通入高纯氮，滴加20%氢氧化钠溶液240mL。于油浴170～180℃加热沸腾3h。化合物（4）很快溶解，生成澄清的橙色溶液，反应中颜色变深。水浴冷却，继续通入氮气，滴加浓盐酸约100mL中和其中的碱，控制滴加速度，不要形成大量泡沫和明显的放热。慢慢加入5g碳酸氢钠使其溶解。将反应液转入连续提取器中，用乙醚提取，直至乙醚层无色。约需2h。分出乙醚层，水层小心地用浓盐酸60mL酸化，再转入提取器中用乙醚提取，直至乙醚层中不再有对羟基苯基丙酮酸。乙醚层浓缩至干，得微黄色固体粗品（1）。于盛有氢氧化钾的真快干燥器中干燥，得粗品（1）6.9～7.2g，收率92%～96%，mp210～215℃（分解）。每克粗品（1）加入12mL水（83～86mL），于150℃的油浴中回流，10～20min后生成浅黄色溶解，过滤。加入8.3～8.6mL浓盐酸，（每克酸加入1.2mL），慢慢冷至室温，其间不时搅拌。冰箱中放置10～20min后生成浅黄色溶液，过滤。加入8.3～8.6mL浓盐酸，（每克酸加入1.2mL），慢慢冷至室温，其间不时搅拌。冰箱中放置10h，抽滤，冷水洗涤，干燥，得化合物（1）4.4～4.7g，收率59%～63%，mp216～218℃（分解）。

4-羟苯基丙酮酸海关

[ 海关编码 ]: 2918990090

[ 中文概述 ]:
2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-羟苯基丙酮酸文献

Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.

J. Biol. Chem. 282 , 23841-53, (2007)

Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei...

Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations.

Biochemistry 53(30) , 5034-41, (2014)

Understanding the mechanism of prenyltransferases is important to the design of engineered proteins capable of synthesizing derivatives of naturally occurring therapeutic agents. CloQ is a Mg(2+)-inde...

Elucidation of common pharmacophores from analysis of targeted metabolites transported by the multispecific drug transporter—Organic anion transporter1 (Oat1)

Bioorg. Med. Chem. 19 , 3320-40, (2011)

Organic anion transporter 1 (Oat1), first identified as NKT, is a multispecific transporter responsible for the handling of drugs and toxins in the kidney and choroid plexus, but its normal physiologi...

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