Pyrilutamide (KX-826)

CAT: 1568-C01306-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C01306-01Size:5 mg

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CAS Number

1272719-00-2

Synonyms

KX-826

SKU

C01306-5mg

Target

Androgen Receptor

Applications

Endocrinology & Hormones

Additionnal Information

Pyrilutamide (KX-826) is an antagonist of androgen receptor (AR) and a potential first-in-class topical drug for the treatment of androgenetic alopecia (AGA) and acne vulgaris.

Chemical Information

Androgen receptor antagonist 2

CAS Number	1272719-00-2
PubChem CID	50940514
IUPAC Name	4-[3-[4-cyano-2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide
Molecular Formula	C21H15F5N4O2S
Molecular Weight	482.4
XLogP	3.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	872

SMILES

CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=C(C(=C(C=C3)C#N)C(F)(F)F)F)C

InChI

InChI=1S/C21H15F5N4O2S/c1-20(2)18(32)29(14-7-4-10(9-27)15(16(14)23)21(24,25)26)19(33)30(20)11-5-6-12(13(22)8-11)17(31)28-3/h4-8H,1-3H3,(H,28,31)

InChIKey

CGRMNGGGSWLDDC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1272719-00-2

CID: 50940514

Formula: C21H15F5N4O2S

MW: 482.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	482.08358772
Monoisotopic Mass	482.08358772
Topological Polar Surface Area	109 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Pyrilutamide (KX-826)

Chemical Information

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