Synonym
PD-1-IN-17 TFA; PD-1-IN17; PD-1-IN 17; CA-170 TFA; CA170; CA 170; AUPM170; AUPM-170; AUPM 170; PD-L1/PD-L2/VISTA antagonist.
IUPAC/Chemical Name
(((S)-4-amino-1-(5-((1S,2R)-1-amino-2-hydroxypropyl)-1,3,4-oxadiazol-2-yl)-4-oxobutyl)carbamoyl)-L-serine trifluoroacetic acid
InChi Key
PYCIDBUEUQEHMB-UGQQCFMUSA-N
InChi Code
InChI=1S/C13H22N6O7.C2HF3O2/c1-5(21)9(15)11-19-18-10(26-11)6(2-3-8(14)22)16-13(25)17-7(4-20)12(23)24;3-2(4,5)1(6)7/h5-7,9,20-21H,2-4,15H2,1H3,(H2,14,22)(H,23,24)(H2,16,17,25);(H,6,7)/t5-,6+,7+,9+;/m1./s1
SMILES Code
OC[C@@H](C(O)=O)NC(N[C@H](C1=NN=C([C@@H](N)[C@H](O)C)O1)CCC(N)=O)=O.O=C(O)C(F)(F)F
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
PD-1-IN-17 may be related to CA-170. The chemical structure of CA170 has not been disclosed as of 11/11/2019.
CA-170, also known as AUPM 170, is an orally bioavailable small molecule inhibitor of the immune checkpoint regulatory proteins programmed cell death ligand-1 (PD-L1; B7-H1; CD274), PD-L2, and V-domain immunoglobulin (Ig) suppressor of T-cell activation (VISTA; programmed death 1 homolog; PD1H; PD-1H), with potential negative immune checkpoint regulatory and antineoplastic activities. CA-170 targets and binds to PD-L1, PD-L2 and VISTA. This inhibits PD-L1/PD-L2/VISTA-mediated signaling, abrogates the PD-L1-, PD-L2- and VISTA-induced suppression of T-lymphocyte immune responses, enhances cytotoxic T-cell proliferation and activation against tumor cells, increases cytokine production by T-cells, and inhibits tumor cell growth. PD-L1, PD-L2 and VISTA, negative checkpoint molecules of immune activation, play key roles in the suppression of T-cell functions.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
488.38
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Musielak B, Kocik J, Skalniak L, Magiera-Mularz K, Sala D, Czub M, Stec M,
Siedlar M, Holak TA, Plewka J. CA-170 - A Potent Small-Molecule PD-L1 Inhibitor
or Not? Molecules. 2019 Aug 1;24(15). pii: E2804. doi: 10.3390/molecules24152804.
PubMed PMID: 31374878; PubMed Central PMCID: PMC6695792.
2: Shaabani S, Huizinga HPS, Butera R, Kouchi A, Guzik K, Magiera-Mularz K, Holak
TA, Dömling A. A patent review on PD-1/PD-L1 antagonists: small molecules,
peptides, and macrocycles (2015-2018). Expert Opin Ther Pat. 2018
Sep;28(9):665-678. doi: 10.1080/13543776.2018.1512706. Epub 2018 Sep 10. Review.
PubMed PMID: 30107136; PubMed Central PMCID: PMC6323140.
3: Bojadzic D, Buchwald P. Toward Small-Molecule Inhibition of Protein-Protein
Interactions: General Aspects and Recent Progress in Targeting Costimulatory and
Coinhibitory (Immune Checkpoint) Interactions. Curr Top Med Chem.
2018;18(8):674-699. doi: 10.2174/1568026618666180531092503. Review. PubMed PMID:
29848279; PubMed Central PMCID: PMC6067980.
