≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
H4R antagonist 1 is a potent and highly selective histamine H4 receptor ( H4R ) antagonist with an IC 50 of 27 nM. H4R antagonist 1 does not show any noticeable binding affinity to other subtypes of histamine receptors, H1R, H2R, and H3R
In Vitro
The competitive binding assay against a wider panel of GPCR, ion channel, and transporters at the concentration of 10 μM reveals that H4R antagonist 1 (Compound 48) is highly selective for H4R. The inhibitory activity of H4R antagonist 1 against mouse H4R (IC 50 =0.29 μM) is about 10 times weaker than that for human H4R. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
H4R antagonist 1 (Compound 48) shows significant antipruritic and anti-inflammatory efficacy in Oxazolone-induced murine model mimicking human atopic dermatitis (AD) . In the [ 35 S]GTPγS functional assay, H4R antagonist 1 shows inhibitory activity against mouse H4R with an IC 50 of 0.69 μM . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:Human H 4 Receptor 27 nM (IC 50 ) Mouse H 4 Receptor 290 nM (IC 50 )
| Canonical Smiles | CNC1CN(C1)C2=NC3=C(C=C(C=N3)Br)N4C2=NN=N4 |
|---|---|
| IUPAC Name | 1-(12-bromo-2,3,4,5,8,10-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)-N-methylazetidin-3-amine |
| InChIKey | ICGICUHMULRYIQ-UHFFFAOYSA-N |
| INCHI | 1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3 |
| Isomeric SMILES | CNC1CN(C1)C2=NC3=C(C=C(C=N3)Br)N4C2=NN=N4 |
| PubChem CID | 71548412 |
| Molecular Weight | 335.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrazines |
| Alternative Parents | Dialkylarylamines Aminopyrazines Pyridines and derivatives Imidolactams Aryl bromides Tetrazoles Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrazine - Dialkylarylamine - Aminopyrazine - Aryl bromide - Aryl halide - Pyrazine - Pyridine - Imidolactam - Azole - Tetrazole - Heteroaromatic compound - Azetidine - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrazines. These are aromatic heteropolycyclic compounds containing a pyridine ring fused to a pyrazine ring. |
| External Descriptors | Not available |
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| Solubility | DMSO : 20 mg/mL (59.67 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Molecular Weight | 335.160 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 334.029 Da |
| Monoisotopic Mass | 334.029 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
