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LY-3475070 100mg

CAT: 0628-A22239-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A22239-100Size:100 mg
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CAS Number
2375815-63-5

Chemical Information

Ly-3475070

CD73 Inhibitor LY3475070 is an orally bioavailable inhibitor of the ectoenzyme CD73 (cluster of differentiation 73; 5'-ecto-nucleotidase; 5'-NT; ecto-5'-nucleotidase), with potential immunomodulating and antineoplastic activities. Upon oral administration, CD73 inhibitor LY3475070 targets and binds to CD73, leading to clustering of and internalization of CD73. This prevents CD73-mediated conversion of adenosine monophosphate (AMP) to adenosine and decreases the amount of free adenosine in the tumor microenvironment (TME). This prevents adenosine-mediated lymphocyte suppression and increases the activity of CD8-positive effector cells and natural killer (NK) cells. This also activates macrophages and reduces the activity of myeloid-derived suppressor cells (MDSCs) and regulatory T-lymphocytes (Tregs). By abrogating the inhibitory effect on the immune system and enhancing the cytotoxic T-cell-mediated immune response against tumor cells, tumor cell growth decreases. In addition, clustering and internalization of CD73 decreases the migration of cancer cells and prevents metastasis. CD73, a plasma membrane protein belonging to the 5'-nucleotidase (NTase) family, catalyzes the conversion of extracellular nucleotides, such as AMP, to membrane-permeable nucleosides, such as adenosine. It is upregulated in a number of cancer cell types and plays a key role in adenosine-mediated immunosuppression within the TME.

CAS Number2375815-63-5
PubChem CID152262911
IUPAC Name5-[6-methyl-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
Molecular FormulaC15H18N4O2
Molecular Weight286.33
XLogP1
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity488
SMILES
CC1=NN=C(C=C1[C@H]2C[C@@H]2C(C)C)C3=CNC(=O)NC3=O
InChI
InChI=1S/C15H18N4O2/c1-7(2)9-4-11(9)10-5-13(19-18-8(10)3)12-6-16-15(21)17-14(12)20/h5-7,9,11H,4H2,1-3H3,(H2,16,17,20,21)/t9-,11+/m1/s1
InChIKey
WHRUIISQCORGKK-KOLCDFICSA-N
Chemical Structure
2D Structure
2D structure of Ly-3475070
CAS: 2375815-63-5
CID: 152262911
Formula: C15H18N4O2
MW: 286.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.33
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass286.14297583
Monoisotopic Mass286.14297583
Topological Polar Surface Area84 Ų
Heavy Atom Count21
Formal Charge0
Complexity488
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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