| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Programmed death-ligand 1 (PD-L1, CD274).
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|---|---|
| ln Vitro |
Human PD-L1 inhibitor II binds directly to PD-L1 with high affinity, effectively blocking its interaction with the PD-1 receptor on T-cells. This blockade prevents PD-L1-mediated immunosuppression, leading to the reactivation of cytotoxic T-cell responses against tumor cells.
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| ln Vivo |
In vivo anti-cancer activity has been demonstrated, although specific models and dosing regimens are often not provided in supplier literature. The activity is primarily characterized by its ability to enhance T-cell-mediated killing of cancer cells in rodent models.
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| Enzyme Assay |
The binding affinity is typically assessed using Surface Plasmon Resonance (SPR). Recombinant human PD-L1 protein is immobilized on a sensor chip. Solutions containing varying concentrations of Human PD-L1 inhibitor II are injected, and the equilibrium dissociation constant (KD) is calculated from the binding curves.
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| Cell Assay |
A reporter gene assay is commonly used. Jurkat T cells expressing PD-1 and a luciferase gene are co-cultured with PD-L1-expressing CHO cells. The peptide inhibitor is added (0.1-10 microM). Luminescence is measured, with increased signal indicating successful blockade of the PD-1/PD-L1 interaction.
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| Animal Protocol |
While specific protocols are not standardized, typical in vivo testing involves a xenograft tumor model in immunodeficient mice reconstituted with human PBMCs (a Hu-PBMC model). The peptide would likely be administered via intravenous injection at doses of 10-20 mg/kg.
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| ADME/Pharmacokinetics |
As a polypeptide, its oral bioavailability is negligible. It is expected to have a short plasma half-life due to proteolytic degradation and rapid renal clearance. Pharmacokinetic analysis would require development of a specific bioanalytical method (e.g., LC-MS/MS).
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| Toxicity/Toxicokinetics |
Toxicology data is lacking as this is a research-grade compound. Due to its mechanism as an immune checkpoint inhibitor, a potential safety risk is the induction of immune-related adverse events (irAEs) in vivo, similar to marketed PD-1/PD-L1 antibodies, though this has not been reported.
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| References | |
| Additional Infomation |
This compound is referenced in patent WO2017162208A1 for the use of PD-L1 targeting polypeptides. It is strictly a biochemical research tool for investigating the PD-1/PD-L1 axis in immuno-oncology. It has not been approved for clinical use or entered human trials.
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| Molecular Formula |
C103H151N25O30
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|---|---|
| Molecular Weight |
2219.45056462288
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| Exact Mass |
2219.109
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| CAS # |
2135542-85-5
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| PubChem CID |
155527068
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| Appearance |
White to off-white solid powder
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| LogP |
-12
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| Hydrogen Bond Donor Count |
33
|
| Hydrogen Bond Acceptor Count |
35
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| Rotatable Bond Count |
76
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| Heavy Atom Count |
158
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| Complexity |
4730
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| Defined Atom Stereocenter Count |
17
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| SMILES |
C(C1=CNC2C=CC=CC1=2)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](N)CC1C=CC=CC=1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CC1C=CC(O)=CC=1)CC1C=CC(O)=CC=1
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| InChi Key |
XXXUQIQFHGYPLZ-OHLZCOAGSA-N
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| InChi Code |
InChI=1S/C103H151N25O30/c1-54(2)44-73(94(149)116-68(25-17-43-111-103(109)110)89(144)117-69(34-37-82(133)134)91(146)115-66(22-11-14-40-104)88(143)113-56(5)86(141)114-67(23-12-15-41-105)90(145)124-75(47-58-26-30-61(130)31-27-58)96(151)120-72(102(157)158)24-13-16-42-106)122-93(148)71(36-39-84(137)138)118-92(147)70(35-38-83(135)136)119-95(150)74(45-55(3)4)123-101(156)80(53-129)128-97(152)76(48-59-28-32-62(131)33-29-59)125-100(155)79(51-85(139)140)127-98(153)77(49-60-52-112-65-21-10-9-20-63(60)65)126-99(154)78(50-81(108)132)121-87(142)64(107)46-57-18-7-6-8-19-57/h6-10,18-21,26-33,52,54-56,64,66-80,112,129-131H,11-17,22-25,34-51,53,104-107H2,1-5H3,(H2,108,132)(H,113,143)(H,114,141)(H,115,146)(H,116,149)(H,117,144)(H,118,147)(H,119,150)(H,120,151)(H,121,142)(H,122,148)(H,123,156)(H,124,145)(H,125,155)(H,126,154)(H,127,153)(H,128,152)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,157,158)(H4,109,110,111)/t56-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
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| Chemical Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.4506 mL | 2.2528 mL | 4.5056 mL | |
| 5 mM | 0.0901 mL | 0.4506 mL | 0.9011 mL | |
| 10 mM | 0.0451 mL | 0.2253 mL | 0.4506 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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