CAS Number34993-56-1
Synonyms8-ethynylpyrene; 1-Ethynylpyrene; ethynylpyrene; 1-Ethynyl Pyrene; Pyrene,1-ethynyl; MFCD02093933; 3-pyrenylacetylene; 1-pyrenylacetylene; pyrene-1-acetylene; ethynyl pyrene
Molecular FormulaC18H10
Molecular Weight226.27
Density1.2±0.1 g/cm3
Boiling Point410.6±14.0 °C at 760 mmHg
Melting Point113-115ºC
AppearanceSolid;White to Light yellow to Dark green powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 34993-56-1 |
| Catalog No. | 2A-3185703 |
| Chinese Name | 1-乙炔基芘 |
| Synonyms | 8-ethynylpyrene; 1-Ethynylpyrene; ethynylpyrene; 1-Ethynyl Pyrene; Pyrene,1-ethynyl; MFCD02093933; 3-pyrenylacetylene; 1-pyrenylacetylene; pyrene-1-acetylene; ethynyl pyrene |
| Molecular Formula | C18H10 |
| Molecular Weight | 226.27 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 410.6±14.0 °C at 760 mmHg |
| Melting Point | 113-115ºC |
| Appearance | Solid;White to Light yellow to Dark green powder to crystal |
| Water Solubility | Soluble in: Toluene |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Application | 1-Ethynylpyrene is an inhibitor of cytochrome P450 1A1, 1A2 and 2B1 with IC50 of 0.18, 0.32 and 0.04 μM respectively. |
| HTC | 2902909090 |
| PubChem ID | 329778082 |
| MDL Number | MFCD02093933 |
| SMILES | C#Cc1ccc2ccc3cccc4ccc1c2c34 |
| InChI | InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H |
| InChI Key | VEBUBSLYGRMOSZ-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| Bioactivity | 1-Ethynylpyrene is an aryl acetylenic inhibitor of cytochromes P450 1A1, 1A2, and 2B1 with IC50s of 0.18, 0.32, and 0.04 μM, respectively[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 In Vitro 1-Ethynylpyrene exhibits activity against P450 1A2, and 2B1 with Kis of 0.32 and 0.04 μM, respectively[1]. References [1]. Naijue Zhu, et al. Ethynyl and Propynylpyrene Inhibitors of Cytochrome P450. J Chem Crystallogr. 2010 Apr 1;40(4):343-352. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 410.6±14.0 °C at 760 mmHg Melting Point 113-115ºC Molecular Formula C18H10 Molecular Weight 226.272 Flash Point 194.9±14.2 °C Exact Mass 226.078247 LogP 5.35 Vapour Pressure 0.0±0.5 mmHg at 25°C Index of Refraction 1.807 InChIKey VEBUBSLYGRMOSZ-UHFFFAOYSA-N SMILES C#Cc1ccc2ccc3cccc4ccc1c2c34 |
| Use of | 1-Ethynylpyrene is an aryl acetylenic inhibitor of cytochromes P450 1A1, 1A2, and 2B1 with IC50s of 0.18, 0.32, and 0.04 μM, respectively[1]. Properties Name 1-ethynylpyrene Synonym More Synonyms ethynylpyrene Biological Activity Description 1-Ethynylpyrene is an aryl acetylenic inhibitor of cytochromes P450 1A1, 1A2, and 2B1 with IC50s of 0.18, 0.32, and 0.04 μM, respectively[1]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 In Vitro 1-Ethynylpyrene exhibits activity against P450 1A2, and 2B1 with Kis of 0.32 and 0.04 μM, respectively[1]. References [1]. Naijue Zhu, et al. Ethynyl and Propynylpyrene Inhibitors of Cytochrome P450. J Chem Crystallogr. 2010 Apr 1;40(4):343-352. Chemical & Physical Properties Molecular Formula C18H10 Exact Mass 226.078247 Index of Refraction 1.807 InChIKey VEBUBSLYGRMOSZ-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 2.0%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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