| 规格 | 价格 | 库存 | 数量 |
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| 靶点 |
Microbial Metabolite
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| 体外研究 (In Vitro) |
苯甲酸 (1 mM) 刺激 OAT2 催化的谷氨酸和乳清酸从表达 OAT2h 的 293 细胞流出 [2]。
苯甲酸(0.5 和 2.0 mg/片)对金黄色葡萄球菌、金黄色葡萄球菌的抗菌活性. 表皮、铜绿假单胞菌和蜡状芽孢杆菌)已有报道[4]。 |
| 体内研究 (In Vivo) |
将百里香酚 (HY-N6810)(日粮中 100 毫克/千克,1-14 天)与苯甲酸(日粮中 2,000 毫克/千克)结合可增强断奶仔猪的生长性能,增加营养吸收和消化,并减少腹泻[3] 。
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| 药代性质 (ADME/PK) |
Absorption, Distribution and Excretion
After oral ingestion of benzoic acid and sodium benzoate, there is a rapid absorption (of undissociated benzoic acid) from the gastrointestinal tract in experimental animals or humans. ... 100% absorption can be assumed. In humans, the peak plasma concentration is reached within 1-2 hr. Experiments on the distribution and elimination of (14)C-benzoate in the rat have shown no accumulation of sodium benzoate or benzoic acid in the body. Benzoic acid and sodium benzoate are rapidly absorbed from the gastrointestinal tract of mammals and conjugated with glycine in the liver. The resulting hippuric acid is excreted in the urine rapidly (75% to 100% of the dose is excreted within 6 hours; the remaining dose is excreted within 2 to 3 days). /Investigators/ reported that 42.6% +/-16.5% of a dermally applied (14)C-Benzoic acid dose (4 ug/sq cm; in acetone) was excreted in the urine within 24 hours. When applied in petrolatum, 60.5% of the dose was absorbed. For more Absorption, Distribution and Excretion (Complete) data for BENZOIC ACID (17 total), please visit the HSDB record page. Metabolism / Metabolites Benzoic acid ... conjugated with glycine to give hippuric acid in ... many mammals (man, monkeys, pig, rabbit, rodents, cat, dog, ferret & hedgehog). Dog, ferret, & hedgehog also excreted ... benzoyl glucuronide ... but indian fruit bat excreted almost all dose as benzoyl glucuronide. /Investigators/ demonstrated that biotransformation of benzoic acid to hippuric acid follows saturable or Michaelis-Menten kinetics in humans following ingestion of sodium benzoate. /Sodium Benzoate/ The availability of glycine was the rate-limiting factor in the formation of hippuric acid. When insufficient glycine was available benzoyl glucuronide was formed. /Investigators/ reported that both lipoic acid and valproic acid reduced the clearance of benzoic acid in rats that had been "loaded" with glycine. Both acids reduced the availability of hepatic coenzyme A that is needed for the adenosine triphosphate (ATP)-dependent conjugation with glycine. For more Metabolism/Metabolites (Complete) data for BENZOIC ACID (11 total), please visit the HSDB record page. Benzoic acid has known human metabolites that include Benzoyl glucuronide. |
| 毒性/毒理 (Toxicokinetics/TK) |
Toxicity Data
LC50 (rat) = >26 mg/m3/1H Interactions The metabolism of the benzoates depletes glycine concentrations and can therefore alter the glycine-dependent metabolism of other compounds. /Investigators/ demonstrated that benzoic acid or sodium benzoate successfully competed with aspirin for glycine, resulting in increased concentration and persistence of salicylic acid in the body. Almost total inhibition of salicyluric acid formation in humans was achieved using either 2.7 g benzoic acid or 3.2 g sodium benzoate. In rat liver microsomes deferoxamine was a potent inhibitor of the oxidation of the scavenging agent, benzoate. Nearly complete inhibition was observed at 33-100 uM. Groups of 25 male and 25 female mice were given benzoic acid at a dose of 40 mg/kg bw/day, sodium bisulfite at 80 mg/kg bw/day, or a mixture of the two for 17 months. Mortality was greater in the groups receiving the mixture (62%) than in those receiving the individual substances (32%) at eight months. Wistar rats /were administered/ 40 mg benzoic acid/kg/day and 80 mg sodium bisulphite/kg/day once daily /for/ 72 weeks. 50 rats /with/ initial body weight /of/ 100-120g /experienced/ reduced weight gain, kidney function and reaction on stress factors were altered (no further information), /and/ the erythrocyte sedimentation rate was increased. Non-Human Toxicity Values LD50 Cat oral 2000 mg/kg LD50 Dog oral 2000 mg/kg LD50 Mouse intraperitoneal 1460 mg/kg LD50 Mouse oral 1940 mg/kg For more Non-Human Toxicity Values (Complete) data for BENZOIC ACID (7 total), please visit the HSDB record page. |
| 参考文献 |
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| 其他信息 |
Benzoic acid appears as a white crystalline solid. Slightly soluble in water. The primary hazard is the potential for environmental damage if released. Immediate steps should be taken to limit spread to the environment. Used to make other chemicals, as a food preservative, and for other uses.
Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an antimicrobial food preservative, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a plant metabolite, a human xenobiotic metabolite, an algal metabolite and a drug allergen. It is a conjugate acid of a benzoate. A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. As the sodium salt form, sodium benzoate is used as a treatment for urea cycle disorders due to its ability to bind amino acids. This leads to excretion of these amino acids and a decrease in ammonia levels. Recent research shows that sodium benzoate may be beneficial as an add-on therapy (1 gram/day) in schizophrenia. Total Positive and Negative Syndrome Scale scores dropped by 21% compared to placebo. Benzoic acid is a Nitrogen Binding Agent. The mechanism of action of benzoic acid is as an Ammonium Ion Binding Activity. Benzoic Acid has been reported in Desmos chinensis, Paeonia emodi, and other organisms with data available. Benzoic acid, C6H5COOH, is a colourless crystalline solid and the simplest aromatic carboxylic acid. Benzoic acid occurs naturally free and bound as benzoic acid esters in many plant and animal species. Appreciable amounts have been found in most berries (around 0.05%). Cranberries contain as much as 300-1300 mg free benzoic acid per kg fruit. Benzoic acid is a fungistatic compound that is widely used as a food preservative. It often is conjugated to glycine in the liver and excreted as hippuric acid. Benzoic acid is a byproduct of phenylalanine metabolism in bacteria. It is also produced when gut bacteria process polyphenols (from ingested fruits or beverages). A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. See also: Salicylic Acid (active moiety of); Benzoyl Peroxide (active moiety of); Sodium Benzoate (active moiety of) ... View More ... Therapeutic Uses Antifungal Agents; Food Preservatives Benzoic acid ... has a long history of use as an antifungal agent in topical therapeutic preparations such as Whitfield's ointment (benzoic acid 6% and salicylic acid 3%). ... It is used especially in the treatment of athlete's foot and to lesser extent for management of ringworm. Medication (vet): has been used with salicylic acid as topical antifungal /Experimental Ther:/ Process for controlling waste nitrogen accumulation diseases in humans by administering at least 1 compound selected from group of benzoic acid, phenylacetic acid and their salts is disclosed. Sodium benzoate, (6.2 g/day) given to female patient with carbophosphate synthetase deficiency Increased total urinary nitrogen excretion 58%. |
| 分子式 |
C7H6O2
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|---|---|
| 分子量 |
122.12
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| 精确质量 |
122.036
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| 元素分析 |
C, 68.85; H, 4.95; O, 26.20
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| CAS号 |
65-85-0
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| 相关CAS号 |
Benzoic acid lithium;553-54-8;Benzoic acid-d5;1079-02-3;Benzoic acid-13C6;125945-98-4;Benzoic-3,5 Acid-d2;37960-84-2;Benzoic acid-13C;3880-99-7
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| PubChem CID |
243
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| 外观&性状 |
White to off-white solid powder
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| 密度 |
1.2±0.1 g/cm3
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| 沸点 |
249.3±9.0 °C at 760 mmHg
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| 熔点 |
121-125 °C(lit.)
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| 闪点 |
121.1±0.0 °C
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| 蒸汽压 |
0.0±0.5 mmHg at 25°C
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| 折射率 |
1.564
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| LogP |
1.89
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| tPSA |
37.3
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| 氢键供体(HBD)数目 |
1
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| 氢键受体(HBA)数目 |
2
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| 可旋转键数目(RBC) |
1
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| 重原子数目 |
9
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| 分子复杂度/Complexity |
104
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| 定义原子立体中心数目 |
0
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| SMILES |
O([H])C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O
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| InChi Key |
WPYMKLBDIGXBTP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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| 化学名 |
benzoic acid
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| 别名 |
Benzoic acid; Benzoesaeure; Benzenecarboxylic acid; Benzeneformic acid;
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| HS Tariff Code |
2934.99.03.00
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| 存储方式 |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| 运输条件 |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| 溶解度 (体外实验) |
DMSO : 24~100 mg/mL ( 196.52~818.87 mM )
H2O: ~7.14 mg/mL (~58.47 mM ) Ethanol : ~24 mg/mL |
|---|---|
| 溶解度 (体内实验) |
配方 1 中的溶解度: ≥ 2.5 mg/mL (20.47 mM) (饱和度未知) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将100 μL 25.0 mg/mL澄清DMSO储备液加入到400 μL PEG300中,混匀;然后向上述溶液中加入50 μL Tween-80,混匀;加入450 μL生理盐水定容至1 mL。 *生理盐水的制备:将 0.9 g 氯化钠溶解在 100 mL ddH₂O中,得到澄清溶液。 配方 2 中的溶解度: ≥ 2.5 mg/mL (20.47 mM) (饱和度未知) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。 例如,若需制备1 mL的工作液,可将 100 μL 25.0 mg/mL澄清DMSO储备液加入900 μL 20% SBE-β-CD生理盐水溶液中,混匀。 *20% SBE-β-CD 生理盐水溶液的制备(4°C,1 周):将 2 g SBE-β-CD 溶解于 10 mL 生理盐水中,得到澄清溶液。 View More
配方 3 中的溶解度: ≥ 2.5 mg/mL (20.47 mM) (饱和度未知) in 10% DMSO + 90% Corn Oil (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。 配方 4 中的溶解度: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.5 mg/mL (20.47 mM) 配方 5 中的溶解度: 4.55 mg/mL (37.26 mM) in PBS (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液; 超声助溶 (<60°C). 1、请先配制澄清的储备液(如:用DMSO配置50 或 100 mg/mL母液(储备液)); 2、取适量母液,按从左到右的顺序依次添加助溶剂,澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明,并不一定代表此产品 的实际溶解配方): 10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline); 假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中,混合均匀/澄清;向上述体系中加入50 μL Tween-80,混合均匀/澄清;然后继续加入450 μL ddH2O (或 saline)定容至 1 mL; 3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例; 4、 如产品在配制过程中出现沉淀/析出,可通过加热(≤50℃)或超声的方式助溶; 5、为保证最佳实验结果,工作液请现配现用! 6、如不确定怎么将母液配置成体内动物实验的工作液,请查看说明书或联系我们; 7、 以上所有助溶剂都可在 Invivochem.cn网站购买。 |
| 制备储备液 | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.1887 mL | 40.9433 mL | 81.8867 mL | |
| 5 mM | 1.6377 mL | 8.1887 mL | 16.3773 mL | |
| 10 mM | 0.8189 mL | 4.0943 mL | 8.1887 mL |
1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;
2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;
3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);
4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。
计算结果:
工作液浓度: mg/mL;
DMSO母液配制方法: mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。
体内配方配制方法:取 μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。
(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
(2) 一定要按顺序加入溶剂 (助溶剂) 。
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03190785 | Completed | Other: Benzoic acid washout and exposure | Metabolic Syndrome Obesity |
East Carolina University | 2017-07-01 | Not Applicable |
| NCT01527123 | Completed | Drug: GSK2585823 | Acne Vulgaris | GlaxoSmithKline | 2012-02-28 | Phase 1 |
| NCT05938452 | Completed | Drug: Glyceryl Tribenzoate | Neurological Disorder | Forest Hills Lab | 2022-12-12 | Phase 1 |
| NCT04939623 | Recruiting | Drug: Probenecid | Chronic Pain Drug Dependence of Morphine Type Symptom, Withdrawal |
University of Calgary | 2023-10-31 | Phase 2 |
| NCT00624676 | Unknown status | Drug: Lipo Hydroxy Acid Drug: 5% benzoyl peroxide gel |
Acne Vulgaris | Cosmetique Active International | 2006-01 | Not Applicable |
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