CAS Number15727-65-8
Synonyms1-(ethynyl)naphthalene; 1-naphthalene-acetylene; Naphthalene,1-ethynyl; naphthylacetylene; (1-naphthyl)acetylene; MFCD02093737; ethynyl-naphthalene
Molecular FormulaC12H8
Molecular Weight152.19200
Density1.070 g/mL at 25ºC(lit.)
Boiling Point270.4ºC at 760 mmHg
Appearanceyellow to brown liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 15727-65-8 |
| Catalog No. | 2A-1166790 |
| Chinese Name | 1-乙炔基萘 |
| Synonyms | 1-(ethynyl)naphthalene; 1-naphthalene-acetylene; Naphthalene,1-ethynyl; naphthylacetylene; (1-naphthyl)acetylene; MFCD02093737; ethynyl-naphthalene |
| Molecular Formula | C12H8 |
| Molecular Weight | 152.19200 |
| Density | 1.070 g/mL at 25ºC(lit.) |
| Boiling Point | 270.4ºC at 760 mmHg |
| Appearance | yellow to brown liquid |
| Storage Condition | Closed, cool place |
| Application | 1-Ethynylnaphthalene is a selective inhibitor of cytochrome P450 1B1. |
| HTC | 2902909090 |
| SMILES | C#Cc1cccc2ccccc12 |
| InChI | InChI=1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H |
| InChI Key | MCZUXEWWARACSP-UHFFFAOYSA-N |
| Use of | 1-Ethynylnaphthalene is a selective inhibitor of cytochrome P450 1B1. Properties Name 1-ethynylnaphthalene Synonym More Synonyms 1-Ethynylnaphthalene Biological Activity Description 1-Ethynylnaphthalene is a selective inhibitor of cytochrome P450 1B1. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Cancer P450 1B1[1] In Vitro 1-Ethynylnaphthalene, selective inhibitor of cytochrome P450 IB1, does not affect 2-hydroxylation but inhibits 4-hydroxylation by 38%. At higher concentrations, 1-Ethynylnaphthalene inhibits 2-hydroxylation of 2-Hydroxylation of estradiol (E2) by ~30% and 4-hydroxylation of E2 by up to 80%[1]. References [1]. Liehr JG, et al. 4-Hydroxylation of estradiol by human uterine myometrium and myoma microsomes: implications for the mechanism of uterine tumorigenesis. Proc Natl Acad Sci U S A. 1995 Sep 26;92(20):9220-4. Chemical & Physical Properties Molecular Formula C12H8 Exact Mass 152.06300 LogP 2.82110 InChIKey MCZUXEWWARACSP-UHFFFAOYSA-N Storage condition 2-8℃ Safety Information Risk Phrases R10 Safety Phrases 16 RIDADR UN 1993 3 HS Code 2902909090 Synthetic Route 2-methyl-4-naph... 40888-18-4 1-Ethynylnaphth... 15727-65-8 Literature: Ube Industries, Ltd. Patent: EP1847545 A1, 2007 ; Location in patent: Page/Page column 42 ; 1-(1-Naphthyl)-... 104784-51-2 1-Ethynylnaphth... 15727-65-8 Literature: Li, Qiuting; Guo, Huimin; Ma, Lihua; Wu, Wanhua; Liu, Yifan; Zhao, Jianzhang Journal of Materials Chemistry, 2012 , vol. 22, # 12 p. 5319 - 5329 1-Iodonaphthale... Propiolic acidd 1-Ethynylnaphth... 15727-65-8 Literature: Park, Kyungho; Palani, Thiruvengadam; Pyo, Ayoung; Lee, Sunwoo Tetrahedron Letters, 2012 , vol. 53, # 7 p. 733 - 737 Precursor & DownStream Precursor 10 CAS#:40888-18-4 2-methyl-4-naph... CAS#:104784-51-2 1-(1-Naphthyl)-... CAS#:90-14-2 1-Iodonaphthalene CAS#:471-25-0 Propiolic acidd DownStream 10 CAS#:941-98-0 1'-Acetonaphthone CAS#:104784-51-2 1-(1-Naphthyl)-... CAS#:604-53-5 binaphthyl CAS#:32137-38-5 1-prop-1-ynylna... |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 2.0%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2902909090 other aromatic hydrocarbons. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 2.0%. General tariff:30.0% |
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