CAS 82-02-0|Khellin

Introduction：Basic information about CAS 82-02-0|Khellin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Khellin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles25
8. Synonyms

Common Name	Khellin
CAS Number	82-02-0	Molecular Weight	260.242
Density	1.3±0.1 g/cm3	Boiling Point	482.1±0.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₂O₅	Melting Point	150-154ºC
MSDS	ChineseUSA	Flash Point	218.8±28.7 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
Synonym	More Synonyms

Khellin BiologicalActivity

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 >>CancerSignaling Pathways >>JAK/STAT Signaling >>EGFRResearch Areas >>Cardiovascular DiseaseSignaling 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

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LV1050000

CHEMICAL NAME :: 5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-

CAS REGISTRY NUMBER :: 82-02-0

BEILSTEIN REFERENCE NO. :: 0263185

LAST UPDATED :: 199707

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C14-H12-O5

MOLECULAR WEIGHT :: 260.26

WISWESSER LINE NOTATION :: T C566 DO JV MOJ BO1 HO1 L1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 68800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JDGRAX Journal of Drug Research. (National Organization for Drug Research and Control, POB 29, Cairo, Egypt) V.2- 1969- Volume(issue)/page/year: 9(1-2),35,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 34400 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 155 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,561,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30600 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 83 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JDGRAX Journal of Drug Research. (National Organization for Drug Research and Control, POB 29, Cairo, Egypt) V.2- 1969- Volume(issue)/page/year: 7(2),1,1975 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 gm/kg

SEX/DURATION :: female 9-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 18 gm/kg

SEX/DURATION :: female 9-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 60 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 30 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H315
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	36/37/39-45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	LV1050000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2932999099

Customs

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles25

Validated HPLC and HPTLC methods for simultaneous determination of colchicine and khellin in pharmaceutical formulations.

J. Chromatogr. Sci. 51(3) , 258-65, (2013)

The present work describes validated high-performance liquid chromatography (HPLC) and high-performance thin-layer chromatography (HPTLC) methods for the simultaneous determination of colchicine and k...

F420H2-dependent degradation of aflatoxin and other furanocoumarins is widespread throughout the actinomycetales.

PLoS ONE 7(2) , e30114, (2012)

Two classes of F(420)-dependent reductases (FDR-A and FDR-B) that can reduce aflatoxins and thereby degrade them have previously been isolated from Mycobacterium smegmatis. One class, the FDR-A enzyme...

A case study to evaluate the treatment of vitiligo with khellin encapsulated in L-phenylalanin stabilized phosphatidylcholine liposomes in combination with ultraviolet light therapy.

Eur. J. Dermatol. 13(5) , 474-7, (2003)

Vitiligo destroys the melanocytes in the epidermis; the inactive melanocytes in the outer root sheaths are not affected. Phosphatidylcholine liposomes are able to target molecules contained in them in...

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

5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-

Ammicardine

5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromane

Kelourin

Ammispasmin

hellin

Amicardine

EINECS 201-392-8

MFCD00005007

Visammin

5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-

Recommended......