Isopimpinellin
Isopimpinellin structure
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Common Name | Isopimpinellin | ||
|---|---|---|---|---|
| CAS Number | 482-27-9 | Molecular Weight | 246.215 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 448.7±45.0 °C at 760 mmHg | |
| Molecular Formula | C13H10O5 | Melting Point | 150-151ºC | |
| MSDS | Chinese USA | Flash Point | 225.1±28.7 °C | |
| Symbol |
GHS06 |
Signal Word | Danger | |
Use of IsopimpinellinIsopimpinellin, 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]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isopimpinellin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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]. |
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| Related Catalog | |
| 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 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H300 |
| Precautionary Statements | P264-P301 + P310 |
| Hazard Codes | T+ |
| Risk Phrases | 20/21/22 |
| Safety Phrases | 22-36/37/39-45-36/37-28 |
| RIDADR | UN 2811 6.1 / PGII |
| RTECS | LV1049200 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~80%
Isopimpinellin CAS#:482-27-9 |
| Literature: Bioorganic and Medicinal Chemistry, , vol. 20, # 2 p. 784 - 788 |
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~%
Isopimpinellin CAS#:482-27-9 |
| Literature: Journal of Organic Chemistry, , vol. 24, p. 523,525 |
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Isopimpinellin CAS#:482-27-9 |
| Literature: Journal of Organic Chemistry, , vol. 24, p. 523,525 |
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Isopimpinellin CAS#:482-27-9 |
| Literature: Journal of the Chemical Society, , p. 4163,4168 Chemische Berichte, , vol. 71, p. 344,351 Yakugaku Zasshi, , vol. 58, p. 370,377 Monatshefte fuer Chemie, , vol. 72, p. 179,187 Yakugaku Zasshi, , vol. 60, p. 57,61 Chem.Abstr., , p. 3717 |
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Isopimpinellin CAS#:482-27-9 |
| Literature: Journal of Organic Chemistry, , vol. 24, p. 523,525 |
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Isopimpinellin CAS#:482-27-9 |
| Literature: Monatshefte fuer Chemie, , vol. 59, p. 161,170 |
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Isopimpinellin CAS#:482-27-9 |
| Literature: Journal of the Indian Chemical Society, , vol. 25, p. 139,141 |
![4,9-dihydroxyfuro[3,2-g]chromen-7-one structure](https://image.chemsrc.com/caspic/216/14348-23-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Application of the equivalency factor concept to the phototoxicity and –genotoxicity of furocoumarin mixtures
Food Chem. Toxicol. 68 , 257-66, (2014) • The photo-cytotoxic, -mutagenic, and -clastogenic properties in V79 cells of thirteen furocoumarins (FCs), were analyzed. • Nine FC mixtures including one mixture ‘representing’ FCs in Angelica arch... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Photobinding to Poly(dA-dT)-Poly(dA-dT)-DNA after UV-A irradiation
Source: ChEMBL
Target: Nucleic Acid
External Id: CHEMBL762651
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Photobinding to Poly(dA-dT)-Poly(dA-dT)-DNA in dark, determined by the shift of therm...
Source: ChEMBL
Target: Nucleic Acid
External Id: CHEMBL763193
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5,8-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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of isopimpinellin? |
| A: CAS number of isopimpinellin is 482-27-9. |
| Q: What are the upstream materials of isopimpinellin? |
| A: Related upstream materials(CAS) of isopimpinellin: 14348-23-3;74-88-4;298-81-7;483-36-3;186581-53-3;1603-47-0;77-78-1. |
| Q: What is the polar surface area (PSA) of isopimpinellin? |
| A: Polar surface area (PSA) of isopimpinellin is 61.81000. |
| Q: What is the English name of isopimpinellin? |
| A: The English name of isopimpinellin is isopimpinellin. |
| Q: What is the boiling point of isopimpinellin? |
| A: Boiling point of isopimpinellin is 448.7±45.0 °C at 760 mmHg. |
| Q: What is the LogP of isopimpinellin? |
| A: LogP of isopimpinellin is 2.31. |
| Q: What English synonyms does isopimpinellin have? |
| A: English synonyms of isopimpinellin: 5,8-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. |
| Q: What is the safety information for isopimpinellin? |
| A: Safety information for isopimpinellin: 22-36/37/39-45-36/37-28. |
| Q: What is the SMILES notation of isopimpinellin? |
| A: SMILES notation of isopimpinellin is COc1c2ccoc2c(OC)c2oc(=O)ccc12. |
| Q: What is the InChIKey of isopimpinellin? |
| A: InChIKey of isopimpinellin is DFMAXQKDIGCMTL-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |