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Chemical structure of IPN60090

GC62618

IPN60090

Also known as 1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide

IPN-60090 is an orally active and highly selective inhibitor of glutaminase 1?(GLS1; IC50=31 nM), with no activity observed against GLS-2

ChemicalCAS1853164-83-6MW532.52FormulaC24H27F3N8O3
CAS number
1853164-83-6
Molecular weight
532.52
Formula
C24H27F3N8O3
Solubility
DMSO ： 31·43 mg/mL (59·02 mM; Need ultrasonic)
InChIKey
GEHZIZWHNLQFAS-OAHLLOKOSA-N
Catalogue number
GC62618
Brand
GLPBIO
Computed properties PubChem CID 118627280 · XLogP 1.6 · TPSA 137 Ų · H-bond donors 2
XLogP
1.6
TPSA
137 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
38

SMILES CC1=CC(=CC(=N1)CC(=O)NC2=NN=C(C=C2)CC[C@H](CN3C=C(N=N3)C(=O)NC)F)OC4CC(C4)(F)F

Computed descriptors from PubChem (CID 118627280), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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