CA-170

CAT: 0804-HY-101093-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-101093-02Size:5 mg

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Description

CA-170 is an orally delivered dual inhibitor of VISTA and PD-L1. CA-170 exhibits potent rescue of proliferation and effector functions of T cells inhibited by PD-L1/L2 and VISTA with selectivity over other immune checkpoint proteins as well as a broad panel of receptors and enzymes[1][2].

CAS Number

1673534-76-3

UNSPSC

12352005

Target

PD-1/PD-L1

Type

Reference compound

Related Pathways

Immunology/Inflammation

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology; Cancer

Assay Protocol

https://www.medchemexpress.com/L-Threonine,_N-[[[_1S_-3-amino-1-[3-[_1R_-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-oxopropyl]amino]carbonyl]-.html

Purity

99.39

Solubility

DMSO : 28.5 mg/mL (ultrasonic; warming)

Smiles

C[C@@H](O)[C@@H](C(O)=O)NC(N[C@H](C1=NC([C@@H](N)CO)=NO1)CC(N)=O)=O

Molecular Formula

C12H20N6O7

Molecular Weight

360.32

References & Citations

[1]Pottayil Govindan Nair Sasikumar, et al. 1,2,4-oxadiazole derivatives as immunomodulators. WO2015033299A1.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 1

Chemical Information

Ca-170

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

CAS Number	1673534-76-3
PubChem CID	126843231
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 Formula	C12H20N6O7
Molecular Weight	360.32
XLogP	-6.7
Topological Polar Surface Area	227
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	493

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

CAS: 1673534-76-3

CID: 126843231

Formula: C12H20N6O7

MW: 360.32

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	360.32
XLogP3	-6.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	360.13934700
Monoisotopic Mass	360.13934700
Topological Polar Surface Area	227 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	493
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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CA-170

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