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ML179

CAT: 0013-GTR19184050-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184050-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML179 is a potent and selective inverse agonist targeting the nuclear receptor LRH-1 (NR5A2), exhibiting an IC50 of 320 nM. This small molecule is a valuable research tool for investigating LRH-1's role in metabolic regulation, stem cell biology, and cancer, facilitating both in vitro mechanistic studies and in vivo model research.
CAS Number
1883548-87-5
Product Name Alternative
Inhibit, inverse, liver receptor homolog-1 (LRH1, NR5A2), ML179, ML-179, ML 179, ER-negative breast cancer, MCF-7, Inhibitor, C57Bl6 mice, SAA4, SAA1, probe compounds
Field of Research
Pharmacology & Drug Discovery
Purity
99.10% (May vary between batches)
Solubility
DMSO:4.25 mg/mL (10.06 mM)
Smiles
FC (F) (F) c1cccc (c1) N1CCN (CC1) c1cc (=O) n (C2CCCCC2) c (=O) [nH]1
Molecular Formula
C21H25F3N4O2
Molecular Weight
422.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione

3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione is a member of piperazines.

CAS Number1883548-87-5
PubChem CID45100448
IUPAC Name3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
Molecular FormulaC21H25F3N4O2
Molecular Weight422.4
XLogP3.8
Topological Polar Surface Area55.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity682
SMILES
C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H25F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,25,30)
InChIKey
MFABFKUNLDYKGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CAS: 1883548-87-5
CID: 45100448
Formula: C21H25F3N4O2
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass422.19296054
Monoisotopic Mass422.19296054
Topological Polar Surface Area55.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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