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MK-4541

CAT: 0013-GTR19212136-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212136-02Size:50 mg
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Description
MK-4541 is an orally bioavailable selective androgen receptor modulator (SARM) and 5α-reductase antagonist. It demonstrates anti-proliferative and pro-apoptotic activity in AR-positive prostate cancer cells in vitro and has shown efficacy in reducing tumor growth in R3327-G prostate cancer xenograft models in vivo.
CAS Number
796885-38-6
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@H] (NC (OCC (F) (F) F) =O) CC4) [H]) (CC[C@]1 (N (C) C (=O) C=C2) [H]) [H]) [H]
Molecular Formula
C22H31F3N2O3
Molecular Weight
428.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-4541

MK-4541 is a 4-azasteroid and a selective androgen receptor modulator (SARM). MK-4541 acts as a dual selective SARM and is both a potent androgen receptor antagonist and a 5α-reductase inhibitor.

CAS Number796885-38-6
PubChem CID59691338
IUPAC Name2,2,2-trifluoroethyl N-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]carbamate
Molecular FormulaC22H31F3N2O3
Molecular Weight428.5
XLogP4.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity754
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NC(=O)OCC(F)(F)F)CC[C@@H]4[C@@]3(C=CC(=O)N4C)C
InChI
InChI=1S/C22H31F3N2O3/c1-20-10-8-15-13(4-7-17-21(15,2)11-9-18(28)27(17)3)14(20)5-6-16(20)26-19(29)30-12-22(23,24)25/h9,11,13-17H,4-8,10,12H2,1-3H3,(H,26,29)/t13-,14-,15-,16-,17+,20-,21+/m0/s1
InChIKey
OGBFNZPDLOPGEO-OCWMMRLVSA-N
Chemical Structure
2D Structure
2D structure of MK-4541
CAS: 796885-38-6
CID: 59691338
Formula: C22H31F3N2O3
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass428.22867734
Monoisotopic Mass428.22867734
Topological Polar Surface Area58.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity754
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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