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Deprodone

CAT: 0804-HY-Z8025-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z8025-01Size:10 mg
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Description
Deprodone is an active compound. Deprodone inhibits key processes such as bacterial cell wall synthesis by interacting with the hydrolase and transferase proteins of methicillin-resistant Staphylococcus aureus (MRSA) . Deprodone is used in research on anti-MRSA infection, inflammatory skin disorders, bowel disease, and fatty acid metabolism disorders[1].
CAS Number
20423-99-8
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Smiles
C[C@@]12[C@](CC[C@]2(O)C(C)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C(CC3)=CC(C=C4)=O)C
Molecular Formula
C21H28O4
Molecular Weight
344.44
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Almufarriji FM, et al. Unveiling the multitargeted potential of deprodone and control comparison with linezolid against hydrolase and transferase enzymes of methicillin-resistant Staphylococcus aureus. Int J Biol Macromol. 2024 Nov;279 (Pt 3) :135459.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Deprodone
CAS Number20423-99-8
PubChem CID10969997
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP1.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity707
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey
KQZSMOGWYFPKCH-UJPCIWJBSA-N
Chemical Structure
2D Structure
2D structure of Deprodone
CAS: 20423-99-8
CID: 10969997
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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