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PKMYT1-IN-2

CAT: 0931-T87219-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87219-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3033609-84-3
Target
Wee1
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
PKMYT1-IN-2 (compound 2) serves as a powerful inhibitor of PKMYT1, exhibiting an IC 50 of 5.7 nM. Additionally, it effectively suppresses the proliferation of HCC1569 cells with an IC 50 of 22 nM [1].
Smiles
NC1=C2C3=C(N1C4=C(C)C(O)=CC=C4C)N=C(C)N=C3C=5C(NC2=O)=CC=CC5
Molecular Formula
C22H19N5O2
Molecular Weight
385.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pkmyt1-IN-2
CAS Number3033609-84-3
PubChem CID171391443
IUPAC Name12-(3-hydroxy-2,6-dimethylphenyl)-11-imino-15-methyl-8,12,14,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1,3,5,7,9,13(17),14-heptaen-9-ol
Molecular FormulaC22H19N5O2
Molecular Weight385.4
XLogP3.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity1040
SMILES
CC1=C(C(=C(C=C1)O)C)N2C3=C4C(=C(N=C5C=CC=CC5=C4NC(=N3)C)O)C2=N
InChI
InChI=1S/C22H19N5O2/c1-10-8-9-15(28)11(2)19(10)27-20(23)17-16-18(24-12(3)25-21(16)27)13-6-4-5-7-14(13)26-22(17)29/h4-9,23,28-29H,1-3H3,(H,24,25)
InChIKey
WBADMYJOZLETGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pkmyt1-IN-2
CAS: 3033609-84-3
CID: 171391443
Formula: C22H19N5O2
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass385.15387487
Monoisotopic Mass385.15387487
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity1040
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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