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Chemical structure of ABT-046

GC35221

ABT-046

Also known as 2-[4-[4-(7-aminopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl]acetic acid

ABT-046 is a potent, selective, and orally active acyl CoA:diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of both 8 nM against human and mouse DGAT-1

ChemicalCAS1031336-60-3MW350.41FormulaC20H22N4O2
CAS number
1031336-60-3
Molecular weight
350.41
Formula
C20H22N4O2
Solubility
DMSO： 66·67 mg/mL (190·26 mM)
InChIKey
BWUXSHHOKODNAK-UHFFFAOYSA-N
Catalogue number
GC35221
Brand
GLPBIO
Computed properties PubChem CID 56933229 · XLogP 3.4 · TPSA 93.5 Ų · H-bond donors 2
XLogP
3.4
TPSA
93.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

SMILES C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=C(N4C(=CC=N4)N=C3)N

Computed descriptors from PubChem (CID 56933229), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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