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Chemical structure of HPGDS inhibitor 2

GC36254

HPGDS inhibitor 2

Also known as 7-(difluoromethoxy)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

HPGDS inhibitor 2 is a highly potent and selective hematopoietic prostaglandin D synthase (H-PGDS) inhibitor with an IC50 of 9·9 nM

ChemicalCAS2101626-26-8MW378.41FormulaC20H24F2N2O3
CAS number
2101626-26-8
Molecular weight
378.41
Formula
C20H24F2N2O3
Solubility
DMSO: ≥ 150 mg/mL (396·40 mM)
InChIKey
YRWMWDLEUYLURJ-UHFFFAOYSA-N
Catalogue number
GC36254
Brand
GLPBIO
Computed properties PubChem CID 129247606 · XLogP 3.8 · TPSA 71.5 Ų · H-bond donors 2
XLogP
3.8
TPSA
71.5 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

SMILES CC(C)(C1CCC(CC1)NC(=O)C2=CN=C3C=C(C=CC3=C2)OC(F)F)O

Computed descriptors from PubChem (CID 129247606), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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