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CA-170

CAT: 0931-T12378L-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12378L-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1673534-76-3
Target
Others, PD-1/PD-L1
Related Pathways
Apoptosis, Immunology/Inflammation, Cell Cycle/Checkpoint, Others
Bioactivity
PD-1-IN-1 is a programmed cell dealth-1inhibitor. PD-1-IN-1 can be used as an immune modulator.
Smiles
C[C@@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)c1nc(no1)[C@@H](N)CO)C(O)=O
Molecular Formula
C12H20N6O7
Molecular Weight
360.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ca-170

CA-170 is a selective, small molecule inhibitor of PD-L1.

CAS Number1673534-76-3
PubChem CID126843231
IUPAC Name(2S,3R)-2-[[(1S)-3-amino-1-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
Molecular FormulaC12H20N6O7
Molecular Weight360.32
XLogP-6.7
Topological Polar Surface Area227
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity493
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)N[C@@H](CC(=O)N)C1=NC(=NO1)[C@H](CO)N)O
InChI
InChI=1S/C12H20N6O7/c1-4(20)8(11(22)23)16-12(24)15-6(2-7(14)21)10-17-9(18-25-10)5(13)3-19/h4-6,8,19-20H,2-3,13H2,1H3,(H2,14,21)(H,22,23)(H2,15,16,24)/t4-,5+,6+,8+/m1/s1
InChIKey
HFOBENSCBRZVSP-LKXGYXEUSA-N
Chemical Structure
2D Structure
2D structure of Ca-170
CAS: 1673534-76-3
CID: 126843231
Formula: C12H20N6O7
MW: 360.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.32
XLogP3-6.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass360.13934700
Monoisotopic Mass360.13934700
Topological Polar Surface Area227 Ų
Heavy Atom Count25
Formal Charge0
Complexity493
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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