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7,12-Dimethylbenz(a)anthracene-dihydrodiol is a chemical compound derived from the parent compound 7,12-dimethylbenz(a)anthracene, which is a polycyclic aromatic hydrocarbon (PAH). This specific dihydrodiol metabolite is formed through the enzymatic reduction of the parent compound, primarily by cytochrome P450 enzymes in the liver. The dihydrodiol metabolite is significant because it can undergo further metabolic activation, leading to the formation of reactive and potentially carcinogenic diol epoxides. These reactive intermediates can bind to DNA, causing mutations and contributing to the carcinogenic properties associated with certain PAHs. The formation of dihydrodiol metabolites is an important step in the metabolic activation pathway of PAHs, highlighting the complex interplay between chemical structure, metabolism, and biological effects.

2518-00-5

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2518-00-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 2518-00-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,1 and 8 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2518-00:
(6*2)+(5*5)+(4*1)+(3*8)+(2*0)+(1*0)=65
65 % 10 = 5
So 2518-00-5 is a valid CAS Registry Number.
InChI:InChI=1/C20H18O2/c1-19(21)15-9-5-6-10-16(15)20(2,22)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12,21-22H,1-2H3

2518-00-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 7,12-dimethylbenzo[a]anthracene-7,12-diol

1.2 Other means of identification

Product number -
Other names 7,12-Dihydroxy-7,12-dimethylbenz<a>anthracen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2518-00-5 SDS

2518-00-5Relevant academic research and scientific papers

Synthesis and carcinogenic activity of 5-fluoro-7-(oxygenated methyl)-12-methylbenz[a]anthracenes

Newman,Fikes,Hashem,Kannan,Sankaran

, p. 1076 - 1078 (2007/10/13)

Treatment of 7,12-benz[a]anthraquinone(2) with methylmagnesium iodide or methyllithium yields mixtures of cis- and trans-7,12-dihydro-7,12-dihydroxy-7,12-dimethylbenz[a]anthracenes (3a,b), in which the ratio of cis to trans lies in the 3-4:1 region. Each isomer afforded high yields of 7-chloromethyl-12-methylbenz[a]anthracene (5) on treatment with hydrogen chloride in ethyl acetate. Similarly, 5-fluoro-7,12-benz[a]anthraquinone (8) afforded a mixture of cis- and trans-5-fluoro-7,12-dihydro-7,12-dihydroxy-7,12-dimethylbenz[a]anthracenes (9) which yielded 7-chloromethyl-5-fluoro-12-methylbenz[a]anthracene (10) on treatment with HCl. The chloromethyl compounds, 5 and 10, yielded 7-acetoxymethyl-12-methylbenz[a]anthracene (6) and 7-acetoxymethyl-5-fluoro-12-methylbenz[a]anthracene (11) on treatment with acetate ion. Hydrolysis of 6 and 11 yielded 7-hydroxymethyl-12-methylbenz[a]anthracene (7) and 5-fluoro-7-hydroxymethyl-12-methylbenz[a]anthracene (12), respectively. Since neither 11 nor 12 is appreciably carcinogenic, the carcinogenic metabolism of 7,12-dimethylbenz[a]anthracene (DMBA) probably does not involve attack at the 7-methyl group.

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