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Chemical structure of HHS-0701

GC69224

HHS-0701

Also known as (4-phenylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylsulfonyl)phenyl]methanone

HHS-0701 is a sulfur-triazole exchange (SuTEx) ligand and an effective inhibitor of the tyrosine-reactive prostaglandin reductase 2 (PTGR2)· HHS-0701 blocks the metabolism of lipid substrate 15-Keto-PGE2 by PTGR2

ChemicalCAS2851993-91-2MW396.46FormulaC20H20N4O3S
CAS number
2851993-91-2
Molecular weight
396.46
Formula
C20H20N4O3S
Solubility
DMSO : 100 mg/mL (252·23 mM; Need ultrasonic)
InChIKey
LLBIFOHOSLRVRY-UHFFFAOYSA-N
Catalogue number
GC69224
Brand
GLPBIO
Computed properties PubChem CID 155925911 · XLogP 2.9 · TPSA 93.5 Ų · H-bond donors 0
XLogP
2.9
TPSA
93.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

SMILES C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4C=NC=N4

Computed descriptors from PubChem (CID 155925911), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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