| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 50mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
PD-1/PD-L1 interaction (IC50 = 5.6 nM)
PD-1/PD-L1 Inhibitor 3 targets the protein-protein interaction between the immune checkpoint receptor PD-1 (programmed cell death protein 1) and its ligand PD-L1 (programmed death-ligand 1). It also inhibits the interaction between PD-L1 and CD80. By blocking this interaction, it prevents the inhibitory signal that suppresses T cell activity. |
|---|---|
| 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].
In vitro, PD-1/PD-L1 Inhibitor 3 potently inhibits the binding of PD-L1 to both PD-1 and CD80. It has a highly efficacious binding mechanism to PD-L1 and promotes enhanced T cell functional activity. It is capable of inhibiting the interaction of PD-L1 with PD-1 and with CD80. |
| ln Vivo |
In vivo, by blocking the PD-1/PD-L1 pathway, this inhibitor is expected to enhance T-cell-mediated antitumor immune responses. It is used as a research tool to study immune checkpoint pathways.
|
| Enzyme Assay |
In vitro binding assays, such as ELISA or surface plasmon resonance, are used to measure the compound's ability to inhibit the interaction between PD-1 and PD-L1 or between CD80 and PD-L1.
|
| Cell Assay |
T cell functional assays are performed to measure the activity of the inhibitor. T cells are cultured with antigen-presenting cells expressing PD-L1, and the compound's ability to restore T cell proliferation and cytokine production is measured.
|
| Animal Protocol |
The in vivo efficacy of PD-1/PD-L1 inhibitors is typically evaluated in syngeneic mouse tumor models. The compound's ability to inhibit tumor growth and enhance immune cell infiltration is assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PD-1/PD-L1 Inhibitor 3, such as its half-life and clearance, would be studied in preclinical species. As a macrocyclic peptide, its stability and bioavailability are key considerations.
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| Toxicity/Toxicokinetics |
Toxicology studies would assess the safety profile of this inhibitor. As an immune checkpoint modulator, its potential for immune-related adverse events would be carefully evaluated.
|
| References | |
| Additional Infomation |
PD-1/PD-L1 Inhibitor 3 is a research tool for studying the PD-1/PD-L1 immune checkpoint pathway. It is used to explore the potential of modulating this pathway for cancer immunotherapy. It is a macrocyclic peptide.
|
| Molecular Formula |
C89H126N24O18S
|
|---|---|
| Molecular Weight |
1852.17
|
| Exact Mass |
1850.94
|
| CAS # |
1629654-95-0
|
| Related CAS # |
PD-1/PD-L1-IN 3 TFA
|
| PubChem CID |
123453538
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.4±0.1 g/cm3
|
| Index of Refraction |
1.676
|
| LogP |
-5.43
|
| Hydrogen Bond Donor Count |
19
|
| Hydrogen Bond Acceptor Count |
21
|
| Rotatable Bond Count |
27
|
| Heavy Atom Count |
132
|
| Complexity |
3980
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C([C@@H]1NC([C@@H](NC([C@@H](NC(CN(C([C@@H](NC([C@@H](NC([C@]2([H])CCCN2C([C@@H](NC([C@@H](N(C([C@@H](NC(CSC[C@H](NC([C@@H](NC([C@@H](N(C([C@@H](N(C1=O)C)CCCC)=O)C)CCCC)=O)CCCNC(N)=N)=O)C(=O)NCC(=O)N)=O)CC1C=CC=CC=1)=O)C)C)=O)CC(=O)N)=O)=O)CC1NC=NC=1)=O)CC(C)C)=O)C)=O)CC1=CNC2=CC=CC=C12)=O)CO)=O)C1=CNC2=CC=CC=C12
|
| InChi Key |
XAUDCIZFSQEZFS-UHFFFAOYSA-N
|
| 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)
|
| 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
|
| Synonyms |
PD-1/PD-L1 Inhibitor 3
|
| 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.
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