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BK50164

CAT: 0013-GTR19220848-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220848-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BK50164 is a potent small molecule inhibitor of CD73 with an IC50 of 13.089 μM and also binds CD99 with a KD of 1.5 μM. It demonstrates antiproliferative effects by inducing apoptosis and Sub-G1 phase cell cycle arrest, making it a useful research tool for oncology and immunology studies in vitro.
CAS Number
2204291-78-9
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
F[C@@H]1[C@H] (N2C=3C (N=C2) =C (N) N=C (Cl) N3) O[C@H] (COC (C (O) =O) C (O) =O) [C@H]1O
Molecular Formula
C13H13ClFN5O7
Molecular Weight
405.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid
CAS Number2204291-78-9
PubChem CID134326972
IUPAC Name2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid
Molecular FormulaC13H13ClFN5O7
Molecular Weight405.72
XLogP0.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity577
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)COC(C(=O)O)C(=O)O)O)F)Cl)N
InChI
InChI=1S/C13H13ClFN5O7/c14-13-18-8(16)5-9(19-13)20(2-17-5)10-4(15)6(21)3(27-10)1-26-7(11(22)23)12(24)25/h2-4,6-7,10,21H,1H2,(H,22,23)(H,24,25)(H2,16,18,19)/t3-,4+,6-,10-/m1/s1
InChIKey
DDBYNIDRHBNGHN-FQKKHWMFSA-N
Chemical Structure
2D Structure
2D structure of 2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid
CAS: 2204291-78-9
CID: 134326972
Formula: C13H13ClFN5O7
MW: 405.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.72
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass405.0487536
Monoisotopic Mass405.0487536
Topological Polar Surface Area183 Ų
Heavy Atom Count27
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-150048BK50164

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