Physicochemical Properties
| Molecular Formula | C107H150N34O32S2 |
| Molecular Weight | 2488.67451906204 |
| CAS # | 2426685-25-6 |
| Related CAS # | TPP-1 TFA |
| PubChem CID | 155545868 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 42 |
| Hydrogen Bond Acceptor Count | 39 |
| Rotatable Bond Count | 77 |
| Heavy Atom Count | 175 |
| Complexity | 5510 |
| Defined Atom Stereocenter Count | 18 |
| SMILES | C([C@@H](C(N[C@H](C(N[C@H](C(=O)N1[C@H](C(NCC(N[C@H](C(N[C@H](C(NCC(NCC(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CO)=O)=O)=O)CO)=O)CCCNC(=N)N)=O)=O)CCC1)CC(O)=O)=O)CCCNC(=N)N)=O)NC([C@@H](NC([C@H](CC1C2C(=CC=CC=2)NC=1)NC([C@@H](NC([C@H](CC1=CN=CN1)NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC(CNC([C@H](CO)N)=O)=O)CCC(N)=O)=O)=O)C)=O)CO)=O)=O)=O)CS)=O)=O)CS)=O)C1C2C(=CC=CC=2)NC=1 |
| HS Tariff Code | 2934.99.9001 |
| 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, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | TPP-1 inhibits the PD-1/PD-L1 interaction by binding to PD-L1 with a high affinity. The binding location of TPP-1 to PD-L1 is near to the interaction site of PD-1 and PD-L1[1]. The KD value of PD-L1 with TPP-1 peptide is around 95 nmol/L (almost five times smaller than that with PD-1). TPP-1 (4 μM) generates a considerable increase in IFNγ release compared to SPP-1 and control, and it reactivates T-cell activities. Additionally, the TPP-1 group exhibits comparable results for cell proliferation[1]. |
| ln Vivo | When compared to SPP-1 and control, TPP-1 (subcutaneous injection; 4 mg/kg; every other day, eight times; 32 days) slows the growth of tumors. In mice treated with TPP-1, the growth rate is 56%. Moreover, TPP-1 had no effect on the growth of H460-luc tumors when given to the control group (no T cells)[1]. |
| Animal Protocol |
Animal/Disease Models: 5 to 6weeks old female Balb/c nude mice injected with H460 cells transfected with the plvx-puro/luciferase lentiviral vector[1] Doses: 4 mg/kg Route of Administration: subcutaneous (sc) injection; 4 mg/kg; every other day eight times; 32days Experimental Results: Inhibited the tumor growth in a tumor xenograft model via reactivating T-cell function. |
| References |
[1]. Peptide Blocking of PD-1/PD-L1 Interaction for Cancer Immunotherapy. Cancer Immunol Res. 2018 Feb;6(2):178-188. |
Solubility Data
| Solubility (In Vitro) | H2O: 50 mg/mL (20.09 mM) |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.4018 mL | 2.0091 mL | 4.0182 mL | |
| 5 mM | 0.0804 mL | 0.4018 mL | 0.8036 mL | |
| 10 mM | 0.0402 mL | 0.2009 mL | 0.4018 mL |