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BMS-265246

CAT: 0804-HY-15275-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15275-01Size:5 mg
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Description
BMS-265246 is a potent and selective cyclin-dependent kinase CDK1 and CDK2 inhibitor, with IC50 values of 6 and 9 nM, respectively. BMS-265246 inhibits CHI3L1 (chitinase 3-like-1) stimulation of ACE2 (angiotensin converting enzyme 2) and SPP (viral spike protein priming proteases) . BMS-265246 can be used for ovarian cancer and COVID-19 research[1][2][3].
CAS Number
582315-72-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Angiotensin-converting Enzyme (ACE) ; CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Infection; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bms-265246.html
Purity
99.59
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
CC1=CC(F)=C(C(C2=CN=C(NN=C3)C3=C2OCCCC)=O)C(F)=C1
Molecular Formula
C18H17F2N3O2
Molecular Weight
345.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Misra RN, Xiao H, Rawlins DB et al. 1H-Pyrazolo[3,4-b]pyridine inhibitors of cyclin-dependent kinases: highly potent 2,6-Difluorophenacyl analogues. Bioorg Med Chem Lett. 2003 Jul 21;13 (14) :2405-8.|[2]Gu H, et al. Inhibition of CDK2 promotes inducible regulatory T-cell differentiation through TGFβ-Smad3 signaling pathway. Cell Immunol. 2014 Jul;290 (1) :138-44. |[3]Kamle S, et al. Chitinase 3-like-1 is a therapeutic target that mediates the effects of aging in COVID-19. JCI Insight. 2021 Nov 8;6 (21) :e148749.|[4]Scott GK, et al. ERpS294 is a biomarker of ligand or mutational ERα activation and a breast cancer target for CDK2 inhibition. Oncotarget. 2016 Oct 18;8 (48) :83432-83445.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK1; CDK2; CDK4

Chemical Information

Bms-265246
CAS Number582315-72-8
PubChem CID135402864
IUPAC Name(4-butoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone
Molecular FormulaC18H17F2N3O2
Molecular Weight345.3
XLogP3.9
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity456
SMILES
CCCCOC1=C(C=NC2=NNC=C12)C(=O)C3=C(C=C(C=C3F)C)F
InChI
InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)
InChIKey
SCFMWQIQBVZOQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-265246
CAS: 582315-72-8
CID: 135402864
Formula: C18H17F2N3O2
MW: 345.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight345.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass345.12888312
Monoisotopic Mass345.12888312
Topological Polar Surface Area67.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity456
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