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Cortexolone 17 alpha-propionate

CAT: 0013-GTR19162897-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162897-04Size:5 mg
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Description
Cortexolone 17 alpha-propionate (CB-03-01, Clascoterone) is a topical and peripherally selective androgen antagonist, displays a strong local antiandrogenic activity in hamster's flank organ test, does not exhibit antiandrogenic activity after subcutaneous injection in vivo.Other Indication Phase 3 Clinical (In Vivo) :Clascoterone is a new potent topical antiandrogen potentially useful in acne vulgaris. Clascoterone 1% cream was very well tolerated, and was significantly better than placebo regarding TLC (P = 0·0017), ILC (P = 0·0134) and ASI (P = 0·0090), and also clinically more effective than comparator. The product also induced a faster attainment of 50% improvement in all the above parameters.
CAS Number
19608-29-8
Product Name Alternative
Cortexolone 17α-propionate | CB-03-01 | Clascoterone
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CCC (O[C@]1 (C (CO) =O) CC[C@@]2 ([H]) [C@]3 ([H]) CCC4=CC (CC[C@]4 (C) [C@@]3 ([H]) CC[C@]12C) =O) =O
Molecular Formula
C24H34O5
Molecular Weight
402.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Pregn-4-ene-3,20-dione, 21-hydroxy-17- (1-oxopropoxy) -

Chemical Information

Clascoterone

Clascoterone (cortexolone 17α-propionate, CB-03-01) is a novel antagonist of androgen receptors. It binds to androgen receptors with high affinity. By competing with androgens for binding to androgen receptors, clascoterone works by blocking the androgen receptor signalling cascades that promote acne pathogenesis, such as sebaceous gland proliferation, excess sebum production, and inflammatory pathways. In August 2020, FDA approved clascoterone for the first-in-class topical treatment of acne (acne vulgaris) in male and female patients 12 years and older. Clascoterone is also being investigated as a novel treatment for androgenetic alopecia.

CAS Number19608-29-8
PubChem CID11750009
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular FormulaC24H34O5
Molecular Weight402.5
XLogP3.9
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity769
SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO
InChI
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
InChIKey
GPNHMOZDMYNCPO-PDUMRIMRSA-N
Chemical Structure
2D Structure
2D structure of Clascoterone
CAS: 19608-29-8
CID: 11750009
Formula: C24H34O5
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass402.24062418
Monoisotopic Mass402.24062418
Topological Polar Surface Area80.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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