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Chemical structure of ML-180

GC44216

ML-180

Also known as 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1H-pyrimidine-2,4-dione

ML-180 is an inverse agonist of liver receptor homolog-1 (LRH-1, IC50 = 3·7 μM) with maximum efficacy of 64% repression

ChemicalCAS863588-32-3MW388.9FormulaC20H25ClN4O2
CAS number
863588-32-3
Molecular weight
388.9
Formula
C20H25ClN4O2
Solubility
DMSO: 10 mg/ml
InChIKey
CHMQQIFPOIZPIJ-UHFFFAOYSA-N
Catalogue number
GC44216
Brand
GLPBIO
Computed properties PubChem CID 3238389 · XLogP 3.6 · TPSA 55.9 Ų · H-bond donors 1
XLogP
3.6
TPSA
55.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27

SMILES C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Computed descriptors from PubChem (CID 3238389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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