Acetic acid (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester is a complex organic compound with a molecular formula of C28H37FO6. It is a derivative of acetic acid, featuring a cyclopenta[a]phenanthren-17-yl ester group. Acetic acid (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester is characterized by its unique stereochemistry, with specific configurations at several carbon atoms (8S,9R,10S,11S,13S,14S,17R). It contains a fluorine atom at the 9-position, a hydroxyl group at the 11-position, and a 2-hydroxy-acetyl group at the 17-position. The molecule also has two methyl groups at the 10 and 13 positions, and a carbonyl group at the 3-position, indicating a ketone functionality. Acetic acid (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester is part of a class of molecules known for their potential biological activities and is often found in the context of pharmaceutical research and development.
The CAS Registry Mumber 3793-90-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,7,9 and 3 respectively; the second part has 2 digits, 9 and 0 respectively. Calculate Digit Verification of CAS Registry Number 3793-90: (6*3)+(5*7)+(4*9)+(3*3)+(2*9)+(1*0)=116 116 % 10 = 6 So 3793-90-6 is a valid CAS Registry Number.
3793-90-6SDS
SAFETY DATA SHEETS
According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition
Version: 1.0
Creation Date: Aug 19, 2017
Revision Date: Aug 19, 2017
1.Identification
1.1 GHS Product identifier
Product name
9α-Fluor-prednisolon-acetat-(17α)
1.2 Other means of identification
Product number
-
Other names
9α-Fluor-prednisolon-acetat-(17)
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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Service hours
Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).
In an effort to test the hypothesis that 9α-fluorination of a steroidal antedrug would enhance receptor binding affinity and local antiinflammatory activity, without concomitantly increasing adverse systemic effects, a fluorinated analog, 10, of methyl 11β,21-dihydroxy-3,20-dioxo-1,4- pregnadiene-16α-carboxylate (DP16CM, 1) was synthesized and evaluated. In the acute rat croton oil-induced ear edema bioassay. 10 was found to be twice as potent as 1. This increase in topical potency was consistent with enhanced binding affinity of 10, relative to 1. The IC50 values for displacement of [3H] dexamethasone from glucocorticoid receptors of rat hepatoma tissue culture cells were 0.16, 1.2, and 0.03 μM for 10, 1, and prednisolone, respectively. Following multiple topical ID50 applications of prednisolone, 1, and its new fluorinated analog, 10, in the rat subacute croton oil- induced ear edema bioassay, only prednisolone exhibited significant untoward effects, such as reduction in relative thymus and adrenal weights, plasma corticosterone levels, and normal body weight gain. Thus, while fluorination of 1 enhanced its topical potency, there was not a concomitant increase in untoward systemic effects. This lack of adverse systemic effects is ostensibly due to the presence of the metabolically labile 16-carboxylate ester moiety.
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