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Ms48107

CAT: 1410-M28590-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M28590-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MS48107 is a potent and selective positive allosteric modulator of G protein-coupled receptor 68 (GPR68) . It is selective for GPR68 over the closely related proton GPCRs, neurotransmitter transporters, and hERG ion channels. It can readily cross the blood-brain barrier (BBB) in mice.
CAS Number
2375070-79-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
417.44
Molecular Formula
C23H20FN5O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CAS Number2375070-79-2
PubChem CID139030523
IUPAC Name[2-[4-amino-6-[(4-phenoxyphenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
Molecular FormulaC23H20FN5O2
Molecular Weight417.4
XLogP3.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity530
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC3=NC(=NC(=N3)N)C4=C(C=CC=C4F)CO
InChI
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)
InChIKey
KKHDNAZPEMYUNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CAS: 2375070-79-2
CID: 139030523
Formula: C23H20FN5O2
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass417.16010306
Monoisotopic Mass417.16010306
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity530
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

Alternative Products

CatalogName
BA5381-10MS48107

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