CAS 162641-16-9|HQL 79

Introduction:Basic information about CAS 162641-16-9|HQL 79, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHQL 79
CAS Number162641-16-9Molecular Weight377.48
Density1.2±0.1 g/cm3Boiling Point553.6±60.0 °C at 760 mmHg
Molecular FormulaC22H27N5OMelting Point/
MSDS/Flash Point288.6±32.9 °C

Names

Name4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
SynonymMore Synonyms

HQL 79 BiologicalActivity

DescriptionHQL-79 is a potent, selective and orally active human hematopoietic prostaglandin D synthase (H-PGDS) inhibitor, highly selectively inhibits the synthesis of PGD2, and acts as an anti-allergic agent, with a Kd of 0.8 μM and an IC50 of 6 μM. Shows no obvious effect on COX-1, COX-2, m-PGES, or L-PGDS[1].
Related CatalogResearch Areas >>Inflammation/ImmunologySignaling Pathways >>Immunology/Inflammation >>PGE synthase
Target

IC50: 6 μM (H-PGDS)[1] Kd: 0.8 μM (H-PGDS)[1]

In VitroHQL-79 is a competitive inhibitor against substrate PGH2 and a non-competitive one against GSH[1].
References

[1]. Aritake K, et al. Structural and functional characterization of HQL-79, an orally selective inhibitor of human hematopoietic prostaglandin D synthase. J Biol Chem. 2006 Jun 2;281(22):15277-86. Epub 2006 Mar 17.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point553.6±60.0 °C at 760 mmHg
Molecular FormulaC22H27N5O
Molecular Weight377.48
Flash Point288.6±32.9 °C
Exact Mass377.221558
PSA66.93000
LogP3.94
Vapour Pressure0.0±1.5 mmHg at 25°C
Index of Refraction1.619
InChIKeyTZQGXAHOROZEKN-UHFFFAOYSA-N
SMILESc1ccc(C(OC2CCN(CCCc3nn[nH]n3)CC2)c2ccccc2)cc1

Safety Information

RIDADRNONH for all modes of transport

Synonyms

4-(Diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine
HQL
Piperidine, 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]-
cc-704
2cvd
HQL-79
4-Benzhydryloxy-1-[3-(1H-tetrazol-5-yl)-propyl]-piperidine
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