Cnidilin
(Synonyms: 8-氧甲基异欧前胡内酯,Knidilin) 目录号 : GC39049
Cnidilin (Knidilin) 分离于 Angelica dahurica 根中。
Cas No.:14348-22-2
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Cnidilin (Knidilin) is isolated from the root of Angelica dahurica[1].
[1]. Baek NI, et al. Furanocoumarins from the root of Angelica dahurica. Arch Pharm Res. 2000 Oct;23(5):467-70.
| Cas No. | 14348-22-2 | SDF | |
| 别名 | 8-氧甲基异欧前胡内酯,Knidilin | ||
| Canonical SMILES | O=C1C=CC2=C(OC/C=C(C)/C)C3=C(OC=C3)C(OC)=C2O1 | ||
| 分子式 | C17H16O5 | 分子量 | 300.31 |
| 溶解度 | Soluble in DMSO | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 3.3299 mL | 16.6495 mL | 33.2989 mL |
| 5 mM | 0.666 mL | 3.3299 mL | 6.6598 mL |
| 10 mM | 0.333 mL | 1.6649 mL | 3.3299 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
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，
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 saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
UHPLC-Q-TOF-MS/MS-based screening and characterization of metabolites of Cnidilin in human liver microsomes
Biomed Chromatogr 2017 Nov;31(11).PMID:28431455DOI:10.1002/bmc.3992.
Cnidilin is an active natural furocoumarin ingredient originating from well-known traditional Chinese medicine Radix Angelicae Dahuricae. In the present study, an efficient approach was developed for the screening and identification of Cnidilin metabolites using ultra-high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. In this approach, an on-line data acquisition method multiple mass defect filter combined with dynamic background subtraction was developed to trace all probable metabolites. Based on this analytical strategy, a total of 24 metabolites of Cnidilin were detected in human liver microsomal incubation samples and the metabolic pathways were proposed. The results indicated that oxidation was the main biotransformation route for Cnidilin in human liver microsomes. In addition, the specific cytochrome P450 (CYP) enzymes involved in the metabolism of Cnidilin were identified using chemical inhibition and CYP recombinant enzymes. The results showed that CYP1A2 and CYP3A4 might be the major enzymes involved in the metabolism of Cnidilin in human liver microsomes. The relationship between Cnidilin and the CYP450 enzymes could provide us a theoretical basis of the pharmacological mechanism.
Tentative identification of new metabolites of Cnidilin by liquid chromatography-mass spectrometry
J Chromatogr B Analyt Technol Biomed Life Sci 2015 Jul 15;995-996:85-92.PMID:26038237DOI:10.1016/j.jchromb.2015.05.002.
Cnidilin is one of the major bioactive constituents of Radix Angelicae dahuricae. The present study was designed to characterize and interpret the structures of metabolites in rats after oral administration of Cnidilin at a dose of 48mg/kg body weight. Metabolite identification was accomplished using a predictive multiple reaction monitoring-information-dependent acquisition-enhanced product ion (pMRM-IDA-EPI) scan and precursor ion scan-information-dependent acquisition-enhanced product ion (PREC-IDA-EPI) scan in positive ion mode. Comparing the changes in protonated molecular masses, MS/MS spectra and retention times with the parent drug, 18 metabolites were identified. The result shows that the metabolic pathways contain deisopentenyl, combination with glucose, hydroxylation, oxidation, demethylation and addition reaction. The study identified 18 metabolites, analyzed and summarized the fragmentation regularities of mass spectra of 8-methoxy-5-hydroxy psoralen. The study provides a new pathway to discovery new compounds, new fragmentation regularities and the mode of metabolites.
Determination of Cnidilin and its two metabolites in rat bile and stool after oral administration by HPLC/electrospray ionization tandem mass spectrometry
Biomed Chromatogr 2013 Apr;27(4):527-34.PMID:23019010DOI:10.1002/bmc.2827.
A simple, fast and sensitive method for the simultaneous determination of Cnidilin and its two metabolites (M1 and M2) in rat bile and stool using HPLC coupled with electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) has been developed. The sample pretreatment was simple, because methanol was the only additive used for dilution of bile and ultrasound of stool. Pimpinellin was used as internal standard (IS). The separation was performed on a reverse phase C18 column with gradient elution consisting of 0.5‰ aqueous formic acid and methanol (containing 0.5‰ formic acid). The detection was in the multiple-reaction monitoring mode within 7 min. All the analytes were in accordance with the requirement of the validation of the method in vivo (linearity, precision, accuracy, limit of detection and limit of quantification). After oral administrating 24 mg/kg of the prototype drug Cnidilin, M1 and M2 were determined in bile within 36 h, and in stool within 60 h. Cnidilin in bile was completely excreted in 24 h, and the main excretive amount of Cnidilin was 80% in the first 6 h, but the drug recovery in bile within 24 h was <1.95%. In stool, the main excretive amount of Cnidilin was 95.8% in the first 24 h, and the drug recovery within 48 h was lower than 1.48%.
Determination of Cnidilin and its two metabolites in rat plasma by high-performance liquid chromatography-electrospray ionization tandem mass spectrometry
Planta Med 2013 Jan;79(1):30-6.PMID:23188706DOI:10.1055/s-0032-1327983.
Simple, fast, and sensitive HPLC coupled with an electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) method for the simultaneous determination of Cnidilin and its two metabolites, 3",8-methoxy-isoimperatorin (M1) and 5"-hydroxyl-8-methoxy-isoimperatorin (M2), in rat plasma has been developed. Pimpinellin was used as the internal standard and the total analysis time was 7 min. Methanol was the only reagent during the process of sample handling used as a protein precipitant. The analytes were separated on a reversed-phase C18 column with gradient elution consisting of 0.5% aqueous formic acid and methanol (containing 0.5% formic acid) in the multiple-reaction monitoring mode. Cnidilin, M1, M2, and the internal standard could be well ionized under positive electrospray ionization conditions. Full validation of the method (linearity, precision, accuracy, limit of detection, and limit of quantification) was carried out and the method was successfully employed in a metabolism study of Cnidilin administered to rats at a dose of 24 mg/kg. The pharmacokinetic parameters of Cnidilin determined after orally administrating the single coumarin to the rat were obtained and the mass fragmentation pathways for analysis are proposed in this article.
In vitro permeability analysis, pharmacokinetic and brain distribution study in mice of imperatorin, isoimperatorin and Cnidilin in Radix Angelicae Dahuricae
Fitoterapia 2013 Mar;85:144-53.PMID:23353658DOI:10.1016/j.fitote.2013.01.007.
Coumarins are important constituents of Radix Angelicae Dahuricae, a well-known traditional Chinese medicine possess several known bioactivities with potentials in the treatment of central nervous system diseases. By using an HPLC-MS/MS method, we analyzed the in vivo plasma and brain pharmacokinetics of three ingredients of coumarins, including imperatorin, isoimperatorin and Cnidilin in mice after oral administration of Dahuricae extract at doses of 800mg/kg. The biosamples were prepared using acetonitrile precipitation and the separation was achieved on an XDB-C18 column by gradient elution. The BBB permeability and P-gp-mediated efflux were further examined in Madin Canine kidney cells transfected with full length cDNA for human multidrug resistance gene1 (MDCKII-MDR1). Our results demonstrate that the method has excellent and satisfactory selectivity, sensitivity, linearity, precision, and accuracy for simultaneous determination of imperatorin, isoimperatorin and Cnidilin. The pharmacokinetics parameters were determined by using noncompartmental analyses, including the AUC(0-t) in plasma (1695.22, 1326.45 and 636.98mg*h/L), the AUC(0-t) in brain (1812.35, 2125.17 and 1145.83ng*h/g) as well as the T1/2 in plasma (0.66, 0.82, 0.97h) and brain (0.96, 1.1, 0.99h) for imperatorin, isoimperatorin and Cnidilin, respectively, suggesting that the three coumarins could easily pass through the BBB in vivo. In the in vitro model we observed high permeability of imperatorin and isoimperatorin with the P-gp-mediated efflux ratios of 0.53 and 0.06, as well as medium permeability of Cnidilin with 0.82. All data suggest that these three coumarins have high BBB permeability and have pharmacokinetic potentials for the treatment of central nervous system diseases.