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HQL-79

CAT: 0931-T15503-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15503-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162641-16-9
Target
Others, PGE Synthase
Related Pathways
Others, Immunology/Inflammation
Bioactivity
HQL-79 is a selective and orally active human hematopoietic prostaglandin D synthase (H-PGDS) inhibitor. It inhibits the synthesis of PGD2 and acts as an anti-allergic agent (Kd: 0.8 μM and IC50: 6 μM) . It also shows no obvious effect on COX-1, COX-2, m-PGES, or L-PGDS.
Smiles
C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1
Molecular Formula
C22H27N5O
Molecular Weight
377.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hql-79
CAS Number162641-16-9
PubChem CID6540277
IUPAC Name4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
Molecular FormulaC22H27N5O
Molecular Weight377.5
XLogP3.8
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
InChI
InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)
InChIKey
TZQGXAHOROZEKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hql-79
CAS: 162641-16-9
CID: 6540277
Formula: C22H27N5O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass377.22156050
Monoisotopic Mass377.22156050
Topological Polar Surface Area66.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5754971HQL-79
B7421-50HQL 79
A12992-5HQL-79 5mg
A12992-10HQL-79 10mg
A12992-2HQL-79 2mg
A12992-100HQL-79 100mg
A12992-25HQL-79 25mg
A12992-50HQL-79 50mg
sc-19602MECA-79 (MECA-79)
sc-19602 LMECA-79 (MECA-79) L

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