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T025

CAT: 1568-C01827-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01827-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2407433-00-3
Target
CDK
Applications
Cell Cycle
Molecular Formula
C21H18N8
Additionnal Information
T025 is as an orally available and potent inhibitor of Cdc2‐like kinases (CLKs) with an IC50s of 0.93 nM, 1 nM, 14 nM, 1.5 nM for CLK1, CLK2, CLK3, DYRK1B respectively. It exhibits anti‐tumor efficacy and can be used in MYC‐driven cancer research.

Chemical Information

N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CAS Number2407433-00-3
PubChem CID133082038
IUPAC Name2-N-methyl-4-N-(pyrimidin-2-ylmethyl)-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Molecular FormulaC21H18N8
Molecular Weight382.4
XLogP3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CNC1=NC2=C(C(=CN2)C3=CC4=C(C=C3)N=CC=C4)C(=N1)NCC5=NC=CC=N5
InChI
InChI=1S/C21H18N8/c1-22-21-28-19-18(20(29-21)27-12-17-24-8-3-9-25-17)15(11-26-19)13-5-6-16-14(10-13)4-2-7-23-16/h2-11H,12H2,1H3,(H3,22,26,27,28,29)
InChIKey
PMWVYONICYRLNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CAS: 2407433-00-3
CID: 133082038
Formula: C21H18N8
MW: 382.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass382.16544261
Monoisotopic Mass382.16544261
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
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

Alternative Products

CatalogName
MBS5753993T025

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