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Chemical structure of QM385

GC37049

QM385

Also known as 2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

QM385 is a potent sepiapterin reductase (SPR) inhibitor with an IC50 of 1·49 nM, which blocks T-cell proliferation and autoimmunity at nanomolar potency and with good oral bioavailability

ChemicalCAS2296727-52-9MW408.38FormulaC18H19F3N6O2
CAS number
2296727-52-9
Molecular weight
408.38
Formula
C18H19F3N6O2
Solubility
DMSO： 125 mg/mL (305·35 mM)
InChIKey
BFANETLSSBPDKW-UHFFFAOYSA-N
Catalogue number
GC37049
Brand
GLPBIO
Computed properties PubChem CID 137292238 · XLogP 2.7 · TPSA 84.5 Ų · H-bond donors 1
XLogP
2.7
TPSA
84.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
29

SMILES CC1=C(C=NN1C2=NN3C=CC=C3C(=O)N2)C(=O)N4CCC(CC4)CC(F)(F)F

Computed descriptors from PubChem (CID 137292238), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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