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Etiprednol dicloacetate

CAT: 0804-HY-106215-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106215-01Size:1 mg
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Description
Etiprednol dicloacetate (BNP 166) is an anti-inflammatory agent. Etiprednol dicloacetate inhibits eosinophil accumulation. Etiprednol dicloacetate can be used in the research of inflammatory airway diseases, such as asthma[1][2].
CAS Number
199331-40-3
Product Name Alternative
BNP 166; Etiprednol dichloroacetate
UNSPSC
12352211
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/etiprednol-dicloacetate.html
Solubility
10 mM in DMSO
Smiles
ClC(Cl)C(O[C@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([H])[C@@H](O)C2)([H])CC1)C)C(OCC)=O)=O
Molecular Formula
C24H30Cl2O6
Molecular Weight
485.40
References & Citations
[1]István Kurucz, et al. Potency and specificity of the pharmacological action of a new, antiasthmatic, topically administered soft steroid, etiprednol dicloacetate (BNP-166) . J Pharmacol Exp Ther. 2003 Oct;307 (1) :83-92. |[2]A Miklós, et al. 28-day oral toxicity study with soft corticosteroid BNP-166 in rats and dogs, followed by a 14-day recovery period. Pharmazie. 2002 Feb;57 (2) :142-6. |[3]I Kurucz, et al. Anti-inflammatory effect and soft properties of etiprednol dicloacetate (BNP-166), a new, anti-asthmatic steroid. Pharmazie. 2004 May;59 (5) :412-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Etiprednol Dicloacetate

Etiprednol dicloacetate is a steroid ester.

CAS Number199331-40-3
PubChem CID9935073
IUPAC Nameethyl (8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dichloroacetyl)oxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Molecular FormulaC24H30Cl2O6
Molecular Weight485.4
XLogP4.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity897
SMILES
CCOC(=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)OC(=O)C(Cl)Cl
InChI
InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1
InChIKey
QAIOVDNCIZSSSF-RFAJLIJZSA-N
Chemical Structure
2D Structure
2D structure of Etiprednol Dicloacetate
CAS: 199331-40-3
CID: 9935073
Formula: C24H30Cl2O6
MW: 485.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass484.1419441
Monoisotopic Mass484.1419441
Topological Polar Surface Area89.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity897
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

Alternative Products

CatalogName
GTR19195279-01Etiprednol dicloacetate

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