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CD73-IN-10

CAT: 0804-HY-147591Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147591Size:1 Each
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Description
CD73-IN-10 is a potent inhibitor of CD73. CD73 can catalyze the production of adenosine from extracellular 5'-phosphate adenosine (5'-AMP), and adenosine can induce immunosuppressive effects and promote tumor proliferation and/or metastasis. CD73-IN-10 be used for preparing a medicament for tumor-related diseases (extracted from patent WO2022068929A1, compound 4) [1].
CAS Number
2766565-91-5
UNSPSC
12352005
Target
CD73
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cd73-in-10.html
Solubility
10 mM in DMSO
Smiles
CN1N=CC2=C1N=C(C=C2[C@@H]3[C@@H](C(F)F)C3)C4=CNC(NC4=O)=O
Molecular Formula
C15H13F2N5O2
Molecular Weight
333.29
References & Citations
[1]Xuejun Zhang, et al. Pyrimidinedione compound and use thereof. Patent WO2022068929A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
CAS Number2766565-91-5
PubChem CID163216786
IUPAC Name5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
Molecular FormulaC15H13F2N5O2
Molecular Weight333.29
XLogP0.9
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity598
SMILES
CN1C2=C(C=N1)C(=CC(=N2)C3=CNC(=O)NC3=O)[C@H]4C[C@@H]4C(F)F
InChI
InChI=1S/C15H13F2N5O2/c1-22-13-9(5-19-22)7(6-2-8(6)12(16)17)3-11(20-13)10-4-18-15(24)21-14(10)23/h3-6,8,12H,2H2,1H3,(H2,18,21,23,24)/t6-,8+/m1/s1
InChIKey
OJKOKOXUAFZIPF-SVRRBLITSA-N
Chemical Structure
2D Structure
2D structure of 5-[4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-1H-pyrimidine-2,4-dione
CAS: 2766565-91-5
CID: 163216786
Formula: C15H13F2N5O2
MW: 333.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.29
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass333.10373100
Monoisotopic Mass333.10373100
Topological Polar Surface Area88.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity598
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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