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80082-66-2

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80082-66-2 Usage

General Description

The chemical compound "(8S,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one" is a complex steroid derivative. It consists of a cyclopenta[a]phenanthrene nucleus with a nitro group, a hydroxyethoxy group, and a methyl group attached at specific positions. The compound has a 17-ketone functional group and a total of 16 carbon atoms. The stereochemistry at positions 8, 9, 13, and 14 is specified as (8S,9S,13S,14S). (8S,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,1 5,16-octahydro-6H-cyclopenta[a]phenanthren-17-one may have various biological activities and could potentially be used in pharmaceutical or research applications related to steroid chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 80082-66-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,0,8 and 2 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 80082-66:
(7*8)+(6*0)+(5*0)+(4*8)+(3*2)+(2*6)+(1*6)=112
112 % 10 = 2
So 80082-66-2 is a valid CAS Registry Number.
InChI:InChI=1/C20H25NO5/c1-20-9-8-13-12-4-6-17(26-11-10-22)19(21(24)25)15(12)3-2-14(13)16(20)5-7-18(20)23/h4,6,13-14,16,22H,2-3,5,7-11H2,1H3/t13-,14-,16+,20+/m1/s1

80082-66-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (8S,9S,13S,14S)-3-(2-hydroxyethoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:80082-66-2 SDS

80082-66-2Downstream Products

80082-66-2Relevant articles and documents

Some Adenine and Adenosine Methylene-Bridged Estrogens

Iyer, Vaidyanathan K.,Butler, W. Barkley,Horwitz, Jerome P.,Rozhin, Jurij,Brooks, Sam C.,et al.

, p. 162 - 166 (1983)

A distinguishing character of human mammary cancer, vis a vis the normal gland, is its capacity to sulfoconjugate estrogens.The title compounds (4 and 12), which are multisubstrate analogues of a putative enzyme-bound transition state of estrogen sulfation (sulfurylation), were synthesized in search of specific chemotherapeutic agents for the treatment of human mammary cancer. 4-Nitroestrone 3-O-(ω-alkyl) ethers (3a), obtained in 69-73percent yield on treatment of 4-nitroestrone (2a) with an α,ω-dibromoalkane and NaH in Me2SO, reacted with adenine in THF containing TBAF to give the corresponding 9-alkyladenine (4a-c), in 55-60percent yield.Reaction of 9-(3-chloropropyl)adenine (5) and estrone (2b) yielded a compound (4d) identical with the major product of the interaction of estrone 3-O-(3-bromopropyl) ether (3d) and adenine.The structures of 4a-d are thereby established.The preparation of the adenosine methylene-bridged estrogens (12a,b) first required the 5-O-alkylation of methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside (7) with the 4-nitroestrone 3-O-(ω-hydroxyalkyl) ethers, 6a,b.The 5-substituted ribofuranosides (8a,b) were converted to the corresponding ribofuranose derivatives (9a,b) in 50percent yield in refluxing aqueous acetic acid.Treatment of 9a,b with acetic anhydride in pyridine gave the corresponding 1,2,3-tri-O-acetate derivatives (10a,b), which reacted with adenine in acetonitrile and SnCl4 to give the β-nucleoside 2',3'-di-O-acetates, 11a,b, respectively.Saponification of the latter with NH3/CH3OH gave 12a,b.Compounds 4a-d and 12a,b showed weak to modest inhibition of estrone sulfurylation as mediated by purified bovine adrenal estrogen sulfotransferase.However, 4a,c and 12a,b exhibited significant growth inhibition of the breast cancer cell line MCF-7 and P388 murine leukemia cells.

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