CAS Number82-02-0
SynonymsKhellin; 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one; Methafrone; Corafurone; Ammivisnagen; coronin; 4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran; Rykellin; 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one; 4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene; 4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene; Ammicardine; 5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromane; Kelourin; Ammispasmin; hellin; Amicardine; EINECS 201-392-8; MFCD00005007; Visammin
Molecular FormulaC14H12O5
Molecular Weight260.24
Purity≥98.0 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point180-200 °C/0.05 mmHg (lit.)
Melting Point150-154 °C (lit.)
AppearanceLight yellow crystal
EINECS201-392-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 82-02-0 |
| Catalog No. | 2A-9059627 |
| Chinese Name | 凯林 |
| Synonyms | Khellin; 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one; Methafrone; Corafurone; Ammivisnagen; coronin; 4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran; Rykellin; 4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one; 4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene; 4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene; Ammicardine; 5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromane; Kelourin; Ammispasmin; hellin; Amicardine; EINECS 201-392-8; MFCD00005007; Visammin |
| Molecular Formula | C14H12O5 |
| Molecular Weight | 260.24 |
| Purity | ≥98.0 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 180-200 °C/0.05 mmHg (lit.) |
| Melting Point | 150-154 °C (lit.) |
| Appearance | Light yellow crystal |
| Storage Condition | This product should be kept sealed. |
| Packaging | III |
| Application | Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has antiproliferative activity in vitro. Khellin has antispasmodic and coronary vasodilatory effects |
| EINECS | 201-392-8 |
| HTC | 2932999099 |
| PubChem ID | 329747161 |
| MDL Number | MFCD00005007 |
| SMILES | COc1c2OC(C)=CC(=O)c2c(OC)c3ccoc13 |
| InChI | 1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3 |
| InChI Key | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| Beilstein/REAXYS | 263185 |
| NACRES Code | NA.24 |
| UNSPSC | 85151701 |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/59627_1_82_02_0.pdf |
| Bioactivity | Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> JAK/STAT Signaling >> EGFR Research Areas >> Cardiovascular Disease Signaling Pathways >> Protein Tyrosine Kinase/RTK >> EGFR Target IC50: 0.15 µM (EGFR)[1] In Vitro Khelline exhibits anti-proliferative activity for MCF-7 cells and Hela cells[1]. Khellin causes total relaxation of both NA- and K+-contractions and a change in external calcium concentration[2]. References [1]. Abdel-Sattar S Hamad Elgazwy, et al. Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors. J Enzyme Inhib Med Chem. 2013 Dec;28(6):1171-81. [2]. A Ubeda, et al. Relaxant actions of khellin on vascular smooth muscle. J Pharm Pharmacol . 1989 Apr;41(4):236-41. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 482.1±0.0 °C at 760 mmHg Melting Point 150-154ºC Molecular Formula C14H12O5 Molecular Weight 260.242 Flash Point 218.8±28.7 °C Exact Mass 260.068481 PSA 61.81000 LogP 1.77 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.595 InChIKey HSMPDPBYAYSOBC-UHFFFAOYSA-N SMILES COc1c2occc2c(OC)c2c(=O)cc(C)oc12 |
| Use of | Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2]. Properties Articles25 Name 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one Synonym More Synonyms Khellin Biological Activity Description Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> JAK/STAT Signaling >> EGFR Research Areas >> Cardiovascular Disease Signaling Pathways >> Protein Tyrosine Kinase/RTK >> EGFR IC50: 0.15 µM (EGFR)[1] References [1]. Abdel-Sattar S Hamad Elgazwy, et al. Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors. J Enzyme Inhib Med Chem. 2013 Dec;28(6):1171-81. [2]. A Ubeda, et al. Relaxant actions of khellin on vascular smooth muscle. J Pharm Pharmacol . 1989 Apr;41(4):236-41. Chemical & Physical Properties Molecular Formula C14H12O5 Exact Mass 260.068481 PSA 61.81000 Index of Refraction 1.595 InChIKey HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Khellin) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (Khellin) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Khellin) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| Naphthols | 1321-67-1 | 2A-9059622 |
| BERAPROST SODIUM | 88475-69-8 | 2A-9059623 |
| CEFCAPENE PIVOXIL HYDROCHLORIDE | 147816-23-7 | 2A-9059624 |
| Isopropyl Amine HCl | 15572-56-2 | 2A-9059625 |
| Antimony trichloride | 10025-91-9 | 2A-9059626 |
| Pimecrolimus | 137071-32-0 | 2A-9059628 |
| 9-[1,1'-biphenyl]-4-yl-10-bromo-anthracene | 400607-05-8 | 2A-9059632 |
| ZAPIZOLAM | 64098-32-4 | 2A-9059635 |
| Cilobradine hydrochloride | 186097-54-1 | 2A-9059638 |
| Cerium Sulfate | 13590-82-4 | 2A-9059639 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS