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MG-1102

CAT: 0931-T86892-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86892-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2567913-75-9
Target
MicroRNA, Microtubule Associated
Related Pathways
Chromatin/Epigenetic, Cytoskeletal Signaling
Bioactivity
MG-1102 is a first-in-class dual binder of monomeric tau and pre-miRNA-146a, exhibiting specific inhibition of miRNA146a with IC 50 values of 0.21 mM for double-labeled pre-miRNA146a and 0.36 mM for mono-labeled pre-miRNA146a. It interacts with tau monomers with a K d of 3.21 mM as determined by surface plasmon resonance (SPR), positioning it as a potential multi-target-directed ligand (MTDL) for Alzheimer's disease (AD) [1].
Smiles
C(C=1C(=NNC1)C2=CC3=C(C=C2)C=C(OC)C=C3)N4C(=CC=C4)C5=NC=CS5
Molecular Formula
C22H18N4OS
Molecular Weight
386.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrol-2-yl]-1,3-thiazole
CAS Number2567913-75-9
PubChem CID170836266
IUPAC Name2-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrol-2-yl]-1,3-thiazole
Molecular FormulaC22H18N4OS
Molecular Weight386.5
XLogP4.2
Topological Polar Surface Area84
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=NN3)CN4C=CC=C4C5=NC=CS5
InChI
InChI=1S/C22H18N4OS/c1-27-19-7-6-15-11-17(5-4-16(15)12-19)21-18(13-24-25-21)14-26-9-2-3-20(26)22-23-8-10-28-22/h2-13H,14H2,1H3,(H,24,25)
InChIKey
JLWKAIUMWRZNJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrol-2-yl]-1,3-thiazole
CAS: 2567913-75-9
CID: 170836266
Formula: C22H18N4OS
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass386.12013238
Monoisotopic Mass386.12013238
Topological Polar Surface Area84 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
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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