CerbinalCAS# 65597-42-4 |
Quality Control & MSDS
3D structure
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Number of papers citing our products
| Cas No. | 65597-42-4 | SDF | Download SDF |
| PubChem ID | 13786166 | Appearance | Yellow powder |
| Formula | C11H8O4 | M.Wt | 204.2 |
| Type of Compound | Iridoids | Storage | Desiccate at -20°C |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | methyl 7-formylcyclopenta[c]pyran-4-carboxylate | ||
| SMILES | COC(=O)C1=COC=C2C1=CC=C2C=O | ||
| Standard InChIKey | PNHQFFOWCUDBPX-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C11H8O4/c1-14-11(13)10-6-15-5-9-7(4-12)2-3-8(9)10/h2-6H,1H3 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | 1. Cerbinal is a potent antifungal compound. |
| Targets | Antifection |
Cerbinal Dilution Calculator
Cerbinal Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 4.8972 mL | 24.4858 mL | 48.9716 mL | 97.9432 mL | 122.429 mL |
| 5 mM | 0.9794 mL | 4.8972 mL | 9.7943 mL | 19.5886 mL | 24.4858 mL |
| 10 mM | 0.4897 mL | 2.4486 mL | 4.8972 mL | 9.7943 mL | 12.2429 mL |
| 50 mM | 0.0979 mL | 0.4897 mL | 0.9794 mL | 1.9589 mL | 2.4486 mL |
| 100 mM | 0.049 mL | 0.2449 mL | 0.4897 mL | 0.9794 mL | 1.2243 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2.[Pubmed:28678159]
Int J Mol Sci. 2017 Jul 5;18(7). pii: ijms18071443.
Docking and molecular dynamics simulations have been carried out to investigate the interaction of a traditional Chinese medicine, WenQingYin, with the glutamate receptor 2 (GluR2) subunit of the alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor. Four representative drug components of WenQingYin, namely 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one (PHF), 4-hydroxy-3-methoxybenzoic acid (HMB), 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one (DHMBP) and methyl 7-formylcyclopenta[c]pyran-4-carboxylate (Cerbinal), and their complexes with GluR2 were simulated. Our results show that PHF, HMB, and DHMBP formed a partial hydrogen bond with GluR2 in its ligand-binding domain. However, Cerbinal was not stable in the ligand-binding domain of GluR2 and induced a significant change in the structure of GluR2. Three-dimensional plots represent the contact and movement situation of the traditional Chinese medicine molecules in the ligand-binding domain. The combined results of the docking and molecular dynamics simulations provide insight into the interaction between these traditional Chinese medicine molecules and proteins.
Two new bioactive iridoids from Rothmannia wittii.[Pubmed:27431771]
Fitoterapia. 2016 Sep;113:97-101.
The first reported study of the isolation and identification of compounds from the bark and fruit of Rothmannia wittii yielded two new iridoids, 6beta-hydroxy-10-O-acetylgenipin (1) and 10-O-acetylmacrophyllide (2) together with six known iridoids; 6beta-hydroxygenipin (3), genipin (4), garjasmine (5), Cerbinal (6), and mixture of beta-gardiol (7) and alpha-gardiol (8); benzoic acid (9); vanillic acid (10); and stigmasterol (11). Their structures were elucidated by spectroscopic methods. Iridoid 1 showed antimycobacterial activity against Mycobacterium tuberculosis with a MIC value of 12.50mug/mL. Iridoid 2 showed cytotoxicity against the NCI-H187 cancer cell line with an IC50 value of 6.82mug/mL. In addition, 2 and 5 exhibited weak cytotoxic activity against KB and MCF-7 cell lines, while 4 was active against the NCI-H187 cancer cell line.
Atomic charges of cerbinal.[Pubmed:11706272]
Acta Crystallogr C. 2001 Nov;57(Pt 11):1352-3. Epub 2001 Nov 13.
The molecule of the title compound, methyl 1-formyl-6-oxa-6H-indene-4-carboxylate, C(11)H(8)O(4), is planar. There are weak C--H...O intramolecular interactions and an intermolecular hydrogen bond in the structure, and these influence the crystal packing.
