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Chemical structure of IPN60090 dihydrochloride

GC60937

IPN60090 dihydrochloride

Also listed as IPN-60090 dihydrochloride

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

ChemicalCAS2102101-72-2MW605.44FormulaC24H29Cl2F3N8O3
CAS number
2102101-72-2
Molecular weight
605.44
Formula
C24H29Cl2F3N8O3
Solubility
DMSO ： 170 mg/mL (280·79 mM; Need ultrasonic); Water ： 100 mg/mL (165·17 mM; Need ultrasonic)
InChIKey
MREGZVYRKYDENT-QCUBGVIVSA-N
Catalogue number
GC60937
Brand
GLPBIO
Computed properties PubChem CID 129244299 · TPSA 137 Ų · H-bond donors 4 · H-bond acceptors 11
TPSA
137 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
40

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.Cl.Cl

Computed descriptors from PubChem (CID 129244299), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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