Size | Price | Stock | Qty |
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5mg |
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10mg |
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25mg |
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50mg |
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Other Sizes |
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Purity: ≥98%
PD-1/PD-L1 Inhibitor 3 is a macrocyclic inhibitor of the PD-1/PD-L1 protein-protein interaction. It has been discovered to be a strong and focused small molecule inhibitor that prevents the interaction of programmed cell death protein 1 (PD-1) with both CD80 and its ligand protein, PD-L1. It was also discovered that PD-1/PD-L1 inhibitor 3 functions as an immunomodulator. Additionally, it was discovered that PD-1/PD-L1 Inhibitor 3 has extremely effective binding to PD-L1 and encourages the increased functional activities of T cells. As a result, the PD-1/PD-L1 inhibitor 3 could be seen as a promising therapeutic treatment for cancer and infectious diseases like hepatitis C.
Targets |
PD-1/PD-L1 interaction (IC50 = 5.6 nM)
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ln Vitro |
PD-1/PD-L1 Inhibitor 3 has the power to prevent PD-L1 from interacting with PD-1 and CD80. It promotes improved T cell functional activity and has a very effective PD-L1 binding mechanism[1].
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ln Vivo |
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Animal Protocol |
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References |
Molecular Formula |
C89H126N24O18S
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Molecular Weight |
1852.17
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Exact Mass |
1850.94026444
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CAS # |
1629654-95-0
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Related CAS # |
PD-1/PD-L1-IN 3 TFA
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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SMILES |
CCCCC1C(=O)NC(C(=O)NC(CSCC(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1C)CCCC)C)CC3=CNC4=CC=CC=C43)CO)CC5=CNC6=CC=CC=C65)C)CC(C)C)CC7=CN=CN7)CC(=O)N)C)C)CC8=CC=CC=C8)C(=O)NCC(=O)N)CCCNC(=N)N
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InChi Key |
XAUDCIZFSQEZFS-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C89H126N24O18S/c1-10-12-30-69-82(125)102-60(29-21-33-95-89(92)93)78(121)108-68(77(120)98-44-73(91)116)47-132-48-75(118)101-64(36-52-23-15-14-16-24-52)85(128)110(7)51(5)76(119)104-66(40-72(90)115)87(130)113-34-22-32-70(113)83(126)103-62(39-55-43-94-49-99-55)80(123)105-63(35-50(3)4)84(127)109(6)45-74(117)100-61(37-53-41-96-58-27-19-17-25-56(53)58)79(122)107-67(46-114)81(124)106-65(38-54-42-97-59-28-20-18-26-57(54)59)86(129)112(9)71(31-13-11-2)88(131)111(69)8/h14-20,23-28,41-43,49-51,60-71,96-97,114H,10-13,21-22,29-40,44-48H2,1-9H3,(H2,90,115)(H2,91,116)(H,94,99)(H,98,120)(H,100,117)(H,101,118)(H,102,125)(H,103,126)(H,104,119)(H,105,123)(H,106,124)(H,107,122)(H,108,121)(H4,92,93,95)
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Chemical Name |
N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
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Synonyms |
PD-1/PD-L1 Inhibitor 3
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
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Solubility (In Vivo) |
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Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 0.5399 mL | 2.6995 mL | 5.3991 mL | |
5 mM | 0.1080 mL | 0.5399 mL | 1.0798 mL | |
10 mM | 0.0540 mL | 0.2700 mL | 0.5399 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.