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M4K2308

CAT: 0931-T201837-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201837-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3034840-18-8
Target
TGF-beta/Smad
Related Pathways
Stem Cells
Bioactivity
M4K2308, a selective ALK2 ether-linked inhibitor, demonstrates an IC50 of 2 nM and exhibits greater specificity for ALK2 over ALK5, with an IC50 of 224 nM for ALK5. This compound holds potential for research into Diffuse Intrinsic Pontine Glioma (DIPG) .
Smiles
N1=CC(C2=CC(OC)=C(OC)C(OC)=C2)=C3C(=C1)C4=CC=C(C=C4OCC3)N5CCNCC5
Molecular Formula
C26H29N3O4
Molecular Weight
447.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-Piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
CAS Number3034840-18-8
PubChem CID166513906
IUPAC Name9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
Molecular FormulaC26H29N3O4
Molecular Weight447.5
XLogP3.5
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity604
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C3CCOC4=C(C3=CN=C2)C=CC(=C4)N5CCNCC5
InChI
InChI=1S/C26H29N3O4/c1-30-24-12-17(13-25(31-2)26(24)32-3)21-15-28-16-22-19(21)6-11-33-23-14-18(4-5-20(22)23)29-9-7-27-8-10-29/h4-5,12-16,27H,6-11H2,1-3H3
InChIKey
QFFKJPJEWNRMHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine
CAS: 3034840-18-8
CID: 166513906
Formula: C26H29N3O4
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass447.21580641
Monoisotopic Mass447.21580641
Topological Polar Surface Area65.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity604
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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