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Isopimpinellin structure, CAS 482-27-9

Isopimpinellin

CAS Number482-27-9

Synonyms5,8-Dimethoxypsoralen; 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; MFCD00017407; Isopimpinellin

Molecular FormulaC13H10O5

Molecular Weight246.22

Purity≥95.0 (HPLC)%

Density1.4±0.1 g/cm3

Boiling Point448.7±45.0 °C at 760 mmHg

Melting Point150-151ºC

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9011053 Purity: ≥95.0 (HPLC)%
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Quality Control of [ 482-27-9 ] Purity: ≥95.0 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number482-27-9
Catalog No.2A-9011053
Chinese Name异茴芹灵
Synonyms5,8-Dimethoxypsoralen; 4,9-Dimethoxy-furo[3,2-g]chromen-7-one; 4,9-Dimethoxyfuro[3,2-g]benzopyran-7-one; 4,9-Dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one; 4,9-dimethoxyfuro[3,2-g]chromen-7-one; 4,9-Dimethoxy-7H-furo[3,2-g]chromen-7-one; MFCD00017407; Isopimpinellin
Molecular FormulaC13H10O5
Molecular Weight246.22
Purity≥95.0 (HPLC)
Density1.4±0.1 g/cm3
Boiling Point448.7±45.0 °C at 760 mmHg
Melting Point150-151ºC
Appearancepowder
Storage Condition2-8°C
ApplicationIsopimpinellin is an orally active compound isolated from the roots of Pimpinella saxifrage. Isopimpinellin blocks the formation of DNA adducts and the development of skin tumors through 7,12-dimethyl
MDL NumberMFCD00017407
SMILESCOc1c2ccoc2c(OC)c2oc(=O)ccc12
InChI1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChI KeyDFMAXQKDIGCMTL-UHFFFAOYSA-N
Beilstein/REAXYS262337
NACRES CodeNA.24
UNSPSC41116107
Hazard SymbolsTransport
MSDSmsds/11053_1_482_27_9.pdf
BioactivityIsopimpinellin, an orally active compound isolated from the roots of Pimpinella saxifrage. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Related Catalog Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis Research Areas >> Inflammation/Immunology In Vivo Isopimpinellin (oral gavage, 35-150 mg/kg) inhibits B[a]P-DNA adduct formation and DMBA-DNA adduct formation in SENCAR mice with skin tumor[1]. Animal Model: Female SENCAR mice (7-9 weeks of age) were fed AIN-76A semi-purified diet (Dyets, Bethlehem, PA) for 2 weeks prior to and during the study[1]. Dosage: 35-150 mg/kg. Administration: Oral gavage, suspended in 0.1 mL corn oil at 24 h and 2 h prior to topical treatment with [3H]B[a]P (200 nmol, 1 Ci/mmol) or [3H]DMBA (10 nmol, 10 Ci/mmol) (each in 0.2 mL acetone). Result: Significantly inhibited B[a]P-DNA adduct formation by 37 and 26%, respectively. Isopimpinellin (35, 70 and 150 mg/kg) blocked DMBA-DNA adduct formation by 23, 56 and 69%, respectively References [1]. Kleiner HE, et al. Oral administration of the citrus coumarin, isopimpinellin, blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene in SENCAR mice. Carcinogenesis. 2002 Oct;23(10):1667-75. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 448.7±45.0 °C at 760 mmHg Melting Point 150-151ºC Molecular Formula C13H10O5 Molecular Weight 246.215 Flash Point 225.1±28.7 °C Exact Mass 246.052826 PSA 61.81000 LogP 2.31 Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.612 InChIKey DFMAXQKDIGCMTL-UHFFFAOYSA-N SMILES COc1c2ccoc2c(OC)c2oc(=O)ccc12 Storage condition 2-8°C
Use ofIsopimpinellin, an orally active compound isolated from the roots of Pimpinella saxifrage. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Properties Name isopimpinellin Synonym More Synonyms Isopimpinellin Biological Activity Description Isopimpinellin, an orally active compound isolated from the roots of Pimpinella saxifrage. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Related Catalog Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis Research Areas >> Inflammation/Immunology References [1]. Kleiner HE, et al. Oral administration of the citrus coumarin, isopimpinellin, blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene in SENCAR mice. Carcinogenesis. 2002 Oct;23(10):1667-75. Chemical & Physical Properties Molecular Formula C13H10O5 Exact Mass 246.052826 PSA 61.81000 Index of Refraction 1.612 InChIKey DFMAXQKDIGCMTL-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 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. (Isopimpinellin) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Isopimpinellin) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Isopimpinellin) 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 Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 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
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