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BMS-135

CAT: 0013-GTR19274881-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274881-02Size:50 mg
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Description
BMS-135 is a potent and selective ATP-competitive inhibitor of casein kinase 2 (CK2), with IC50 values of 0.8 nM for CK2α and 0.3 nM for CK2α' isoforms. It mimics the structure of ATP, binding to the active site of CK2 and inhibiting its serine/threonine phosphorylating activity. BMS-135 effectively inhibits cell proliferation and demonstrates antitumor properties, making it useful for research in colon cancer.
CAS Number
1541248-36-5
Smiles
N (CC) C=1C=2N (C (C#N) =CN2) N=C (NC3=C (Cl) C (=CC (C#N) =C3) N4C[C@@H] (O) [C@H] (NC (OC) =O) CC4) N1
Molecular Formula
C22H23ClN10O3
Molecular Weight
510.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl ((3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-3-hydroxypiperidin-4-yl)carbamate
CAS Number1541248-36-5
PubChem CID89932121
IUPAC Namemethyl N-[(3R,4R)-1-[2-chloro-5-cyano-3-[[7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-3-hydroxypiperidin-4-yl]carbamate
Molecular FormulaC22H23ClN10O3
Molecular Weight510.9
XLogP2.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity879
SMILES
CCNC1=NC(=NN2C1=NC=C2C#N)NC3=C(C(=CC(=C3)C#N)N4CC[C@H]([C@@H](C4)O)NC(=O)OC)Cl
InChI
InChI=1S/C22H23ClN10O3/c1-3-26-19-20-27-10-13(9-25)33(20)31-21(30-19)28-15-6-12(8-24)7-16(18(15)23)32-5-4-14(17(34)11-32)29-22(35)36-2/h6-7,10,14,17,34H,3-5,11H2,1-2H3,(H,29,35)(H2,26,28,30,31)/t14-,17-/m1/s1
InChIKey
KHGXSCNFRQOHGF-RHSMWYFYSA-N
Chemical Structure
2D Structure
2D structure of methyl ((3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-3-hydroxypiperidin-4-yl)carbamate
CAS: 1541248-36-5
CID: 89932121
Formula: C22H23ClN10O3
MW: 510.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.9
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass510.1643123
Monoisotopic Mass510.1643123
Topological Polar Surface Area177 Ų
Heavy Atom Count36
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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