PD-1-IN-17 TFA

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 408042

CAS#: Unknown (HCl)

Description: PD-1-IN-17 has CAS#CAS:1673560-66-1, which is a programmed cell death-1 (PD-1) inhibitor. PD-1-IN-17 was first reported in patent WO2015033301A1, (Compound 12), inhibits 92% splenocyte proliferation at 100 nM. PD-1-IN-17 may be related to CA-170 (AUPM170), which is a potent PD-1 inhibitor and curreently under clinical trials.


Price and Availability

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PD-1-IN-17 TFA, is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 408042
Name: PD-1-IN-17 TFA
CAS#: Unknown (HCl)
Chemical Formula: C15H23F3N6O9
Exact Mass: 374.155
Molecular Weight: 488.3772
Elemental Analysis: C, 36.89; H, 4.75; F, 11.67; N, 17.21; O, 29.48


Related CAS #: 1673560-66-1   1673534-76-3    

Synonym: PD-1-IN-17; PD-1-IN17; PD-1-IN 17; CA-170; 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


Technical Data

Appearance:
Solid powder

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).

Harmonized System Code:
2934.99.90.01


Additional Information

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.


References

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.