DMBA structure
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Common Name | DMBA | ||
|---|---|---|---|---|
| CAS Number | 57-97-6 | Molecular Weight | 256.341 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 463.5±15.0 °C at 760 mmHg | |
| Molecular Formula | C20H16 | Melting Point | 122-123 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 227.3±14.5 °C | |
| Symbol |
GHS06, GHS08 |
Signal Word | Danger | |
Use of DMBADMBA has carcinogenic activity as a polycyclic aromatic hydrocarbon (PAH). DMBA is used to induce tumor formation in various rodent models[1]. |
Summary: 7,12-dimethyltetraphene, also known as DMBA, has a molecular formula of C20H16 and a molecular weight of 256.341. It appears as yellow powder, with a melting point of 122-123°C and a boiling point of 463.5±15.0°C, and a density of 1.1±0.1g/cm3. DMBA is commonly used to induce skin and breast tumors, and can also cause leukemia and other tumors. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7,12-dimethyltetraphene |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | DMBA has carcinogenic activity as a polycyclic aromatic hydrocarbon (PAH). DMBA is used to induce tumor formation in various rodent models[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 463.5±15.0 °C at 760 mmHg |
| Melting Point | 122-123 °C(lit.) |
| Molecular Formula | C20H16 |
| Molecular Weight | 256.341 |
| Flash Point | 227.3±14.5 °C |
| Exact Mass | 256.125214 |
| LogP | 6.83 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.729 |
| InChIKey | ARSRBNBHOADGJU-UHFFFAOYSA-N |
| SMILES | Cc1c2ccccc2c(C)c2c1ccc1ccccc12 |
| 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, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H311 + H331-H350-H370 |
| Precautionary Statements | P201-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C: Corrosive; |
| Risk Phrases | R22 |
| Safety Phrases | S53-S36/37-S45-S62-S61-S60 |
| RIDADR | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| RTECS | DP4500000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table lists relevant public references with title, journal and publication metadata for this compound.
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The licorice flavonoid isoliquiritigenin reduces DNA-binding activity of AhR in MCF-7 cells.
Chem. Biol. Interact. 221 , 70-6, (2014) Licorice is derived from the rhizomes of Glycyrrhiza glabra. It has been used for confectioneries or culinary purposes. The rhizomes contain many flavonoidal compounds that have been shown to be biolo... |
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Core-shell nanoparticulate formulation of gemcitabine: lyophilization, stability studies, and in vivo evaluation.
Drug Deliv Transl Res 4 , 439-51, (2015) Core-shell nanoparticulate formulation of gemcitabine was prepared by incorporating gemcitabine in a hydrophilic bovine serum albumin (BSA) core surrounded by hydrophobic poly(DL-lactic acid-co-glycol... |
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Ameliorative effect of mepenzolate bromide against pulmonary fibrosis.
J. Pharmacol. Exp. Ther. 350(1) , 79-88, (2014) Idiopathic pulmonary fibrosis is thought to involve lung injury caused by reactive oxygen species (ROS), which in turn is followed by abnormal fibrosis. A transforming growth factor (TGF)-β1-induced i... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: Cell Viability Profiling of Human Lymphoblast Cell Lines
Source: NCGC
Target: N/A
External Id: HAPV101
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Name: Caspase-3/7 Activation Profiling of Human Lymphoblast Cell Lines
Source: NCGC
Target: N/A
External Id: HAPC101
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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: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 200-359-5 |
| DMBA |
| 7,12-Dimethyltetraphene |
| MFCD00003600 |
| 7,12-Dimethylbenzo[a]anthracene |
| 7,12-Dimethylbenz[a]anthracene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 7,12-dimethyltetraphene? |
| A: SMILES notation of 7,12-dimethyltetraphene is Cc1c2ccccc2c(C)c2c1ccc1ccccc12. |
| Q: What is the CAS number of 7,12-dimethyltetraphene? |
| A: CAS number of 7,12-dimethyltetraphene is 57-97-6. |
| Q: What is the boiling point of 7,12-dimethyltetraphene? |
| A: Boiling point of 7,12-dimethyltetraphene is 463.5±15.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 7,12-dimethyltetraphene? |
| A: InChIKey of 7,12-dimethyltetraphene is ARSRBNBHOADGJU-UHFFFAOYSA-N. |
| Q: What are the storage conditions for 7,12-dimethyltetraphene? |
| A: Storage conditions for 7,12-dimethyltetraphene: 2-8°C. |
| Q: What are the downstream products of 7,12-dimethyltetraphene? |
| A: Related downstream products(CAS) of 7,12-dimethyltetraphene: 34331-98-1;35281-29-9;6632-71-9;94549-42-5;568-70-7;568-75-2;2518-01-6;59230-81-8;63018-62-2;53306-03-9. |
| Q: What is the safety information for 7,12-dimethyltetraphene? |
| A: Safety information for 7,12-dimethyltetraphene: S53-S36/37-S45-S62-S61-S60. |
| Q: What are the uses of 7,12-dimethyltetraphene? |
| A: Main uses of 7,12-dimethyltetraphene: DMBA has carcinogenic activity as a polycyclic aromatic hydrocarbon (PAH). DMBA is used to induce tumor formation in various rodent models[1]. |
| Q: What is the melting point of 7,12-dimethyltetraphene? |
| A: Melting point of 7,12-dimethyltetraphene is 122-123 °C(lit.). |
| Q: What is the molecular weight of 7,12-dimethyltetraphene? |
| A: Molecular weight of 7,12-dimethyltetraphene is 256.341. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |