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M4K2163 dihydrochloride

CAT: 0013-GTR19232537Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232537Size:10 mg
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Description
M4K2163 dihydrochloride is a brain-penetrant, selective ALK2 inhibitor with an IC50 of 19 nM. It is a valuable research tool for studying diffuse intrinsic pontine glioma (DIPG), enabling both in vitro mechanistic studies and in vivo preclinical models to target this challenging pediatric brain tumor.
CAS Number
2863635-04-3
Field of Research
Stem Cell & Developmental Biology
Smiles
CC=1C (C2=CC (OC) =C (F) C (OC) =C2) =CN=CC1C3=CC=C (C=C3) N4CCNCC4.Cl
Molecular Formula
C24H28Cl2FN3O2
Molecular Weight
480.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

M4K2163 dihydrochloride
CAS Number2863635-04-3
PubChem CID170453303
IUPAC Name1-[4-[5-(4-fluoro-3,5-dimethoxyphenyl)-4-methyl-3-pyridinyl]phenyl]piperazine;dihydrochloride
Molecular FormulaC24H28Cl2FN3O2
Molecular Weight480.4
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity511
SMILES
CC1=C(C=NC=C1C2=CC=C(C=C2)N3CCNCC3)C4=CC(=C(C(=C4)OC)F)OC.Cl.Cl
InChI
InChI=1S/C24H26FN3O2.2ClH/c1-16-20(17-4-6-19(7-5-17)28-10-8-26-9-11-28)14-27-15-21(16)18-12-22(29-2)24(25)23(13-18)30-3;;/h4-7,12-15,26H,8-11H2,1-3H3;2*1H
InChIKey
HMNLQIQCOZETBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of M4K2163 dihydrochloride
CAS: 2863635-04-3
CID: 170453303
Formula: C24H28Cl2FN3O2
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass479.1542607
Monoisotopic Mass479.1542607
Topological Polar Surface Area46.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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