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MRIA9

CAT: 0931-T36891-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T36891-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2750707-05-0
Target
Others, PAK, Apoptosis, SIK
Related Pathways
Apoptosis, PI3K/Akt/mTOR signaling, Others, Cytoskeletal Signaling
Bioactivity
MRIA9, an ATP-competitive inhibitor targeting pan Salt-Inducible Kinases (SIK) and PAK2/3, demonstrates IC50 values of 516 nM, 180 nM, and 127 nM for SIK1, SIK2, and SIK3, respectively [1].
Smiles
C(N1C=2C(C=C(C1=O)C3=C(Cl)C=C(C=C3)C4=C(F)C=CC=N4)=CN=C(NC)N2)[C@@H]5OC[C@@H](N)CO5
Molecular Formula
C24H22ClFN6O3
Molecular Weight
496.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(3-fluoro-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS Number2750707-05-0
PubChem CID162642759
IUPAC Name8-[(5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(3-fluoro-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC24H22ClFN6O3
Molecular Weight496.9
XLogP2.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity784
SMILES
CNC1=NC=C2C=C(C(=O)N(C2=N1)CC3OCC(CO3)N)C4=C(C=C(C=C4)C5=C(C=CC=N5)F)Cl
InChI
InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)
InChIKey
QKNBRNSGPNCARD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(3-fluoro-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
CAS: 2750707-05-0
CID: 162642759
Formula: C24H22ClFN6O3
MW: 496.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.9
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass496.1425944
Monoisotopic Mass496.1425944
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity784
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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