Cnidilin - CAS 14348-22-2
Catalog number: B0005-251206
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C17H16O5
Molecular Weight:
300.31
COA:
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Chemical Family:
Coumarins
Description:
Cnidilin is a compound of the coumarin class found in the roots of Angelica dahurica. Cnidilin has the potential for the treatment of CNS diseases for its BBB permeability.
Ordering Information
Catalog Number Size Price Stock Quantity
B0005-251206 5 mg $499 In stock
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Purity:
>98%
Synonyms:
Kinidilin; Isophellopterin; 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Solubility:
Soluble in DMSO
MSDS:
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InChIKey:
NNDOCYLWULORAM-UHFFFAOYSA-N
InChI:
InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
Canonical SMILES:
CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C
1.Tentative identification of new metabolites of cnidilin by liquid chromatography-mass spectrometry.
Huo H1, Jia P1, Zhang X1, Zhang Z1, Yang H1, Zhang Q1, Shi H1, Zhang L2. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Jul 15;995-996:85-92. doi: 10.1016/j.jchromb.2015.05.002. Epub 2015 Jun 1.
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.
2.Determination of cnidilin and its two metabolites in rat plasma by high-performance liquid chromatography-electrospray ionization tandem mass spectrometry.
Zhu H1, Liu P, Shi X, Xu H, Ren Y, Wang Q, Zhang L. Planta Med. 2013 Jan;79(1):30-6. doi: 10.1055/s-0032-1327983. Epub 2012 Nov 27.
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.
3.In vitro permeability analysis, pharmacokinetic and brain distribution study in mice of imperatorin, isoimperatorin and cnidilin in Radix Angelicae Dahuricae.
Lili W1, Yehong S, Qi Y, Yan H, Jinhui Z, Yan L, Cheng G. Fitoterapia. 2013 Mar;85:144-53. doi: 10.1016/j.fitote.2013.01.007. Epub 2013 Jan 23.
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.
4.Determination of cnidilin and its two metabolites in rat bile and stool after oral administration by HPLC/electrospray ionization tandem mass spectrometry.
Zhu H1, Ren Y, Sun Y, Chang L, Cao L, Xu H, Zhang L. Biomed Chromatogr. 2013 Apr;27(4):527-34. doi: 10.1002/bmc.2827. Epub 2012 Sep 27.
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.
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CAS 14348-22-2 Cnidilin

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