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MedKoo Cat#: 130591 | Name: PD-1/PD-L1 inhibitor (1S,2S)-A25

Description:

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

PD-1/PD-L1 inhibitor (1S,2S)-A25 is a novel, potent programmed cell death-1/ programmed cell death-ligand 1 inhibitor.

Chemical Structure

PD-1/PD-L1 inhibitor (1S,2S)-A25
PD-1/PD-L1 inhibitor (1S,2S)-A25
CAS#PD-1/PD-L1 inhibitor (1S,2S)-A25

Theoretical Analysis

MedKoo Cat#: 130591

Name: PD-1/PD-L1 inhibitor (1S,2S)-A25

CAS#: PD-1/PD-L1 inhibitor (1S,2S)-A25

Chemical Formula: C35H33ClN2O3

Exact Mass: 564.2180

Molecular Weight: 565.11

Elemental Analysis: C, 74.39; H, 5.89; Cl, 6.27; N, 4.96; O, 8.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
PD-1/PD-L1 In (1S,2S)-A25, PD-1/PD-L1 inhibitor A25, PD-1/PD-L1 In (1S,2S) A25, PD-1/PD-L1 inhibitor (1S,2S) A25, PD-1 PD-L1 inhibitor (1S,2S) A25, PD-1/PD-L1 inhibitor-A25, PD-1/PD-L1 inhibitor A25, PD-1/PD-L1 In-A25, PD-1/PD-L1 In-A25
IUPAC/Chemical Name
2-((5-Chloro-2-((3-cyanobenzyl)oxy)-4-((1S,2S)-2-(2-methyl-[1,1'-biphenyl]-3-yl)cyclopropyl)benzyl)amino)-2-methylpropanoic acid
InChi Key
ZFEYTBYBRIZPJN-IHLOFXLRSA-N
InChi Code
InChI=1S/C35H33ClN2O3/c1-22-27(25-11-5-4-6-12-25)13-8-14-28(22)29-17-30(29)31-18-33(41-21-24-10-7-9-23(15-24)19-37)26(16-32(31)36)20-38-35(2,3)34(39)40/h4-16,18,29-30,38H,17,20-21H2,1-3H3,(H,39,40)/t29-,30+/m1/s1
SMILES Code
CC(C)(NCC1=CC(Cl)=C([C@@H]2[C@@H](C3=C(C)C(C4=CC=CC=C4)=CC=C3)C2)C=C1OCC5=CC=CC(C#N)=C5)C(O)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 565.11 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.

Recalculate based on batch purity %
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. Jing T, Zhang Z, Kang Z, Mo J, Yue X, Lin Z, Fu X, Liu C, Ma H, Zhang X, Hu W. Discovery and Optimization of Novel Biphenyl Derivatives Bearing Cyclopropyl Linkage as Potent Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Inhibitors. J Med Chem. 2023 May 25;66(10):6811-6835. doi: 10.1021/acs.jmedchem.3c00205. Epub 2023 May 9. PMID: 37159395.