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MR22

CAT: 0804-HY-149075-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149075-01Size:1 mg
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Description
MR22 is a potent pan-SIK (salt-inducible kinase) inhibitor. MR22 no longer exhibits activity on STE group kinases and displays excellent selectivity in a representative kinase panel. MR22-dependent SIK inhibition led to centrosome dissociation and subsequent cell-cycle arrest in ovarian cancer cells[1].
CAS Number
3027761-24-3
UNSPSC
12352005
Target
Salt-inducible Kinase (SIK)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mr22.html
Purity
99.76
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CNC1=NC=C2C=C(C(N(C2=N1)CCCCN)=O)C3=C(C=CC(F)=C3)F
Molecular Formula
C18H19F2N5O
Molecular Weight
359.37
References & Citations
[1]Marcel Rak, et al. Shifting the selectivity of pyrido[2,3-d]pyrimidin-7 (8H) -one inhibitors towards the salt-inducible kinase (SIK) subfamily. European Journal of Medicinal Chemistry. Volume 254, 5 June 2023, 115347.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8-(4-Aminobutyl)-6-(2,5-difluorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CAS Number3027761-24-3
PubChem CID168264783
IUPAC Name8-(4-aminobutyl)-6-(2,5-difluorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC18H19F2N5O
Molecular Weight359.4
XLogP2.1
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity532
SMILES
CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCCN)C3=C(C=CC(=C3)F)F
InChI
InChI=1S/C18H19F2N5O/c1-22-18-23-10-11-8-14(13-9-12(19)4-5-15(13)20)17(26)25(16(11)24-18)7-3-2-6-21/h4-5,8-10H,2-3,6-7,21H2,1H3,(H,22,23,24)
InChIKey
VCZDFACOFNRTMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-Aminobutyl)-6-(2,5-difluorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CAS: 3027761-24-3
CID: 168264783
Formula: C18H19F2N5O
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass359.15576657
Monoisotopic Mass359.15576657
Topological Polar Surface Area84.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity532
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