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IPN60090

CAT: 0013-GTR19205774-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205774-06Size:50 mg
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Description
IPN60090 is a potent and orally bioavailable specific inhibitor of renal-type glutaminase (GLS1) with an IC50 of 31 nM. It is a research tool for studying cancer metabolism and immunomodulation, with applications in both in vitro enzymatic assays and in vivo preclinical models of GLS1-mediated diseases.
CAS Number
1853164-83-6
Product Name Alternative
Glutaminase GLS1 (KGA), GLS1, GLS1-IN-1, IPN60090, IPN-60090, IPN 60090
Field of Research
Metabolism Research, Protein Biochemistry
Purity
99.76% (May vary between batches)
Solubility
DMSO:27.5 mg/mL (51.64 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (3.76 mM)
Smiles
CNC (=O) c1cn (C[C@H] (F) CCc2ccc (NC (=O) Cc3cc (OC4CC (F) (F) C4) cc (C) n3) nn2) nn1
Molecular Formula
C24H27F3N8O3
Molecular Weight
532.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methylpyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide

Glutaminase-1 Inhibitor IACS-6274 is an orally bioavailable inhibitor of the metabolic enzyme glutaminase-1 (GLS1), with potential antineoplastic and immunostimulating activities. Upon oral administration, IACS-6274 selectively targets, binds to and inhibits human GLS1, an enzyme that is essential for the conversion of the amino acid glutamine into glutamate. Blocking glutamine metabolism inhibits proliferation in rapidly growing tumor cells and leads to an induction of cell death. Unlike normal healthy cells, glutamine-dependent tumors heavily rely on the intracellular conversion of exogenous glutamine into glutamate and glutamate metabolites to provide energy and generate building blocks for the production of macromolecules, which are needed for cellular growth and survival.

CAS Number1853164-83-6
PubChem CID118627280
IUPAC Name1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
Molecular FormulaC24H27F3N8O3
Molecular Weight532.5
XLogP1.6
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity804
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
InChI
InChI=1S/C24H27F3N8O3/c1-14-7-18(38-19-10-24(26,27)11-19)8-17(29-14)9-22(36)30-21-6-5-16(31-33-21)4-3-15(25)12-35-13-20(32-34-35)23(37)28-2/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,28,37)(H,30,33,36)/t15-/m1/s1
InChIKey
GEHZIZWHNLQFAS-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 1-[(2R)-4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methylpyridin-2-yl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide
CAS: 1853164-83-6
CID: 118627280
Formula: C24H27F3N8O3
MW: 532.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass532.21582124
Monoisotopic Mass532.21582124
Topological Polar Surface Area137 Ų
Heavy Atom Count38
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T11412-01IPN60090
MBS5785542-01IPN60090 dihydrochloride
HY-103671A-01IPN60090 (dihydrochloride)

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