CAS 87-05-8|Maraniol
| Common Name | Maraniol | ||
|---|---|---|---|
| CAS Number | 87-05-8 | Molecular Weight | 204.222 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 351.4±37.0 °C at 760 mmHg |
| Molecular Formula | C12H12O3 | Melting Point | 114-116 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 146.2±21.1 °C |
Names
| Name | 7-Ethoxy-4-methylcoumarin |
|---|---|
| Synonym | More Synonyms |
Maraniol BiologicalActivity
| Description | 7-Ethoxy-4-methylcoumarin is a coumarin derivative and can be used as a substrate probe of mammalian cytochromes P450 1A1, 2B4 and 2B6[1][2]. |
|---|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Others |
| Target | CYP1A1 CYP2B6 CYP2B4 |
| References | [1]. Kuhn UD, et al. Induction of cytochrome P450 1A1 in rat liver slices by 7-ethoxycoumarin and 4-methyl-7-ethoxycoumarin. Exp Toxicol Pathol. 1998 Sep;50(4-6):491-6. [2]. Liu J, et al. Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry. 2016 Apr 5;55(13):1997-2007. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 351.4±37.0 °C at 760 mmHg |
| Melting Point | 114-116 °C(lit.) |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.222 |
| Flash Point | 146.2±21.1 °C |
| Exact Mass | 204.078644 |
| PSA | 39.44000 |
| LogP | 2.90 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.548 |
| InChIKey | NKRISXMDKXBVRJ-UHFFFAOYSA-N |
| SMILES | CCOc1ccc2c(C)cc(=O)oc2c1 |
| Water Solubility | DMF: soluble |
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2932209090 |
Customs
| HS Code | 2932209090 |
|---|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles7
More Articles| CYP2A6: genetics, structure, regulation, and function. Drug Metabol. Drug Interact. 27 , 73-88, (2012) The human CYP2A gene subfamily consists of three members, CYP2A6, CYP2A7, and CYP2A13. The CYP2A6 gene is highly polymorphic with approximately 40 annotated allelic variants. Individuals homozygous fo... | |
| Approach to detect substrates suitable to measure the coumarin 7-hydroxylase (Cyp 2a-5)-structure-activity relationships. Arch. Pharm. (Weinheim) 327 , 299-302, (1994) Besides coumarin, which up to now has remained the most selective substrate for the coumarin 7-hydroxylase (Coh), 7-ethoxycoumarin, quinoline, 4-methylcoumarin, 7-ethoxy-4-methylcoumarin, 7-ethoxy-4-e... | |
| 7-Aminocoumarins are substrates of cytochrome P450-isozymes. Arch. Pharm. (Weinheim) 331 , 143-148, (1998) N-Alkyl-7-aminocoumarins are dealkylated by murine cytochrome P450. There are differences between the N-dealkylation of secondary and tertiary amines. 7-Ethylamino-4-methylcoumarin is deethylated by i... |
Synonyms
| Maraniol |
| 7-ethoxy-4-methylchromen-2-one |
| 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl- |
| 7-Ethoxy-4-methyl-2H-chromen-2-one |
| EINECS 201-721-5 |
| MFCD00016971 |
