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ORIC-533

CAT: 0013-GTR19234850-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234850-02Size:10 mg
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Description
ORIC-533 is an orally bioavailable, competitive CD73 inhibitor that reactivates suppressed CD8+ T cells. It demonstrates potent anti-multiple myeloma activity by inducing tumor cell lysis within the bone marrow niche, as shown in preclinical in vitro and in vivo studies.
CAS Number
2641306-62-7
Field of Research
Immunology & Inflammation
Smiles
O[C@H]1[C@H] (N2C=3C (C=N2) =C (NC4CCCC4) N=C (Cl) N3) O[C@H] (CO[C@] (COCC=5NN=NN5) (P (=O) (O) O) CO) [C@H]1O
Molecular Formula
C20H29ClN9O9P
Molecular Weight
605.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 156311996
CAS Number2641306-62-7
PubChem CID156311996
IUPAC Name[(2S)-2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-hydroxy-3-(2H-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid
Molecular FormulaC20H29ClN9O9P
Molecular Weight605.9
XLogP-2.5
Topological Polar Surface Area256
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity894
SMILES
C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[C@](CO)(COCC5=NNN=N5)P(=O)(O)O)O)O
InChI
InChI=1S/C20H29ClN9O9P/c21-19-24-16(23-10-3-1-2-4-10)11-5-22-30(17(11)25-19)18-15(33)14(32)12(39-18)6-38-20(8-31,40(34,35)36)9-37-7-13-26-28-29-27-13/h5,10,12,14-15,18,31-33H,1-4,6-9H2,(H,23,24,25)(H2,34,35,36)(H,26,27,28,29)/t12-,14-,15-,18-,20+/m1/s1
InChIKey
WQAMOSWUARUEOH-GGBXQBQZSA-N
Chemical Structure
2D Structure
2D structure of CID 156311996
CAS: 2641306-62-7
CID: 156311996
Formula: C20H29ClN9O9P
MW: 605.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.9
XLogP3-2.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass605.1514382
Monoisotopic Mass605.1514382
Topological Polar Surface Area256 Ų
Heavy Atom Count40
Formal Charge0
Complexity894
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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