PD-1-IN-1 free base

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MedKoo CAT#: 408047

CAS#: 1673534-76-3

Description: PD-1-IN-1 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 4). PD-1-IN-1 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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Pricing updated 2020-07-07. Prices are subject to change without notice.

PD-1-IN-1 free base 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#: 408047
Name: PD-1-IN-1 free base
CAS#: 1673534-76-3
Chemical Formula: C12H20N6O7
Exact Mass: 360.1393
Molecular Weight: 360.327
Elemental Analysis: C, 40.00; H, 5.59; N, 23.32; O, 31.08


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

Synonym: PD-1-IN-1 free base; PD-1-IN17; CA-170; CA-170; CA-170; AUPM 170; AUPM-170; AUPM170; PD1-IN-1. PD-L1/PD-L2/VISTA antagonist

IUPAC/Chemical Name: L-Threonine, N-[[[(1S)-3-amino-1-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]-3-oxopropyl]amino]carbonyl]-

InChi Key: HFOBENSCBRZVSP-LKXGYXEUSA-N

InChi Code: 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

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


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).

HS Tariff Code:
2934.99.9001


Additional Information

PD-1-IN-1 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.

CA-170 that selectively targets PD-L1 and VISTA, both of which function as negative checkpoint regulators of immune activation. CA-170 can induce effective proliferation and IFN-γ (Interferon-gamma) production (a cytokine that is produced by activated T cells and is a marker of T cell activation) by T cells that are specifically suppressed by PD-L1 or VISTA. In addition, CA-170 also appears to have anti-tumor effects similar to anti-PD-1 or anti-VISTA antibodies in multiple in vivo tumor models. Curis is currently investigating CA-170 in a Phase 1 trial in patients with advanced solid tumors and lymphomas.


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.