≥99% 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.
MS48107 is a potent and selective positive allosteric modulator of G protein-coupled receptor 68 (GPR68). MS48107 is selective for GPR68 over the closely related proton GPCRs, neurotransmitter transporters, and hERG ion channels. MS48107 can readily cross the blood-brain barrier (BBB) in mice.
In Vitro
5-HT2B has moderate binding affinity to MS48107 (compound 71) with a K i value of 219 nM. At 5-HT2B receptors, MS48107 shows no agonist activity but display weak antagonist activity with a K i value of 310 nM, respectively. MS48107 (compound 71) has agonist activity only at the MT1 and MT2 receptors. MS48107 is a weak full agonist at the MT1 receptor (EC 50 = 320 nM) and a weak partial agonist activity at the MT2 receptor (EC 50 = 540 nM). MS48107 displays low binding affinities to MT1 (5900 nM) and MT2 (1100 nM) receptors. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
For MS48107 (compound 71), a single intraperitoneal injection at the dose of 25 mg/kg leads to high exposure levels (above 10 μM) in both plasma and brain at 0.5 h in mice (Swiss Albino mice). The high compound exposure levels in both plasma and brain are maintained for 2 h . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Sonrisas canónicas | C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=NC(=NC(=N3)N)C4=C(C=CC=C4F)CO |
|---|---|
| IUPAC Name | [2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol |
| InChIKey | KKHDNAZPEMYUNO-UHFFFAOYSA-N |
| INCHI | 1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29) |
| Isómeros SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=NC(=NC(=N3)N)C4=C(C=CC=C4F)CO |
| PubChem CID | 139030523 |
| Peso molecular | 417.44 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilidad | DMSO : 100 mg/mL (239.56 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 417.400 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 417.16 Da |
| Monoisotopic Mass | 417.16 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 530.000 |
| 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 |
