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Halobetasol propionate

CAT: 0804-HY-B0878-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0878-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Halobetasol propionate (BMY-30056) is a synthetic glucocorticoid corticosteroid. Halobetasol propionate exhibits anti-inflammatory, antipruritic, and vasoconstrictive properties. Halobetasol propionate can be used for the study of psoriasis[1][2].
CAS Number
66852-54-8
Product Name Alternative
BMY-30056; CGP-14458; Ulobetasol propionate
UNSPSC
12352211
Hazard Statement
H301-H311-H331-H341
Target
Glucocorticoid Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation; Vitamin D Related/Nuclear Receptor
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Halobetasol-propionate.html
Purity
99.88
Solubility
DMSO : ≥ 100 mg/mL
Smiles
C[C@@]12[C@](C(CCl)=O)(OC(CC)=O)[C@@H](C)C[C@@]1([H])[C@]3([H])C[C@H](F)C4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C2)=O
Molecular Formula
C25H31ClF2O5
Molecular Weight
484.96
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
References & Citations
[1]Kundu-Raychaudhuri S, et al. Kv1.3 in psoriatic disease: PAP-1, a small molecule inhibitor of Kv1.3 is effective in the SCID mouse psoriasis--xenograft model. J Autoimmun. 2014 Dec;55:63-72. |[2]Yawalkar S, et al. Dermatopharmacologic investigations of halobetasol propionate in comparison with clobetasol 17-propionate. J Am Acad Dermatol. 1991 Dec;25 (6 Pt 2) :1137-44.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Halobetasol Propionate

Halobetasol Propionate can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number66852-54-8
PubChem CID6918178
IUPAC Name[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC25H31ClF2O5
Molecular Weight485.0
XLogP3.7
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity964
SMILES
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl
InChI
InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1
InChIKey
BDSYKGHYMJNPAB-LICBFIPMSA-N
Chemical Structure
2D Structure
2D structure of Halobetasol Propionate
CAS: 66852-54-8
CID: 6918178
Formula: C25H31ClF2O5
MW: 485.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.0
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass484.1828081
Monoisotopic Mass484.1828081
Topological Polar Surface Area80.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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