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CA-170

CAT: 0013-GTR19205198-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205198-01Size:25 mg
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Description
PD-1-IN-1 is a small molecule inhibitor of the programmed cell death-1 (PD-1) immune checkpoint. It functions as an immune modulator for research, enabling the study of T-cell activation and antitumor immune responses in both in vitro cellular assays and in vivo animal models.
CAS Number
1673534-76-3
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
[C@H] (NC (N[C@@H] ([C@@H] (C) O) C (O) =O) =O) (CC (N) =O) C1=NC ([C@H] (CO) N) =NO1
Molecular Formula
C12H20N6O7
Molecular Weight
360.32
Storage Conditions
-20°C
Notes
For research use only.

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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