HQL 79 - Moligand™, ≥99%(HPLC) , Inhibitor of H-PGDS, CAS No.162641-16-9, Inhibitor of H-PGDS

CAS: 162641-16-9 Cat. No.: H288289 Molecular Weight: 377.48
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(HPLC)
Synonyms
4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine | 4-(Diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propylpiperidine | HQL79 | HQL-79 | AKOS032947265 | BDBM50300128 | HQL | J-009960 | AI3-01359 | Q27077992 | FT-0643573 | AM84555 | HQL-97 | EX-A091 | DB0
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
H288289-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$381.90
50mg
H288289-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,561.90
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Why this grade

Moligand™, ≥99%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine | 4-(Diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propylpiperidine | HQL79 | HQL-79 | AKOS032947265 | BDBM50300128 | HQL | J-009960 | AI3-01359 | Q27077992 | FT-0643573 | AM84555 | HQL-97 | EX-A091 | DB0
Specifications & Purity
Moligand™, ≥99%(HPLC)
Biochemical and Physiological Mechanisms
Orally active and specific inhibitor of human hematopoietic prostaglandin D synthase (H-PGDS) (IC50= 6μM). Antiallergic and anti-inflammatory; displays antiasthmatic activity and potent antihistaminic propertiesin vivo.
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of H-PGDS
Purity
≥99%(HPLC)
Names and Identifiers
Canonical SmilesC1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
IUPAC Name4-benzhydryloxy-1-[3-(2H-tetrazol-5-yl)propyl]piperidine
InChIKeyTZQGXAHOROZEKN-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC4=NNN=N4
Molecular Weight 377.48
Reaxy-Rn 20016867
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20016867&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Benzylethers  Aralkylamines  Piperidines  Tetrazoles  Heteroaromatic compounds  Trialkylamines  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diphenylmethane - Benzylether - Aralkylamine - Piperidine - Azole - Heteroaromatic compound - Tetrazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors piperidines - tetrazoles
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HPGDS Tchem Hematopoietic prostaglandin D synthase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGDS Tchem Hematopoietic prostaglandin D synthase (658 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 9.44, Max Conc. mM: 25
Molecular Weight377.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass377.222 Da
Monoisotopic Mass377.222 Da
Topological Polar Surface Area66.900 Ų
Heavy Atom Count28
Formal Charge0
Complexity413.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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