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1883548-87-5

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1883548-87-5 Structure

1883548-87-5 Structure
IdentificationBack Directory
[Name]

ML-179
[CAS]

1883548-87-5
[Synonyms]

ML-179
3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
[Molecular Formula]

C21 H25 F3 N4 O2
[MDL Number]

MFCD25563255
[MOL File]

1883548-87-5.mol
[Molecular Weight]

422.44
Chemical PropertiesBack Directory
[density ]

1.329±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 10 mg/ml
[form ]

A crystalline solid
[pka]

9.37±0.40(Predicted)
[color ]

White to off-white
[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
[SMILES]

C1(=O)NC(N2CCN(C3=CC=CC(C(F)(F)F)=C3)CC2)=CC(=O)N1C1CCCCC1
Hazard InformationBack Directory
[Uses]

ML-179 is a potent inverse agonist of liver receptor homolog-1 (LRH-1). It induces the death of estrogen-receptor negative MDA-MB-231 breast cancer cells.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ML-179(1883548-87-5)1HNMR
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