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| 1mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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Purity: =99.85%
BMS-1 (also known as PD1-PDL1-IN1, or PD1/PD-L1 inhibitor 1) is a novel and highly potent small molecule inhibitor of PD-1/PD-L1 protein/protein interaction with an IC50 of 6 nM. It was first discovered by BMS (Bristol-Myers-Squibb) as an immunomodulator for the Programmed death-ligand 1 (PD-L1) with potential anticancer activities. PD-L1 is known as cluster of differentiation 274 (CD274) or B7 homolog 1 (B7-H1) is a protein that in humans is encoded by the CD274 gene. It is reported that the overexpression of PD-L1 may allow cancers to escape the surveilance of host immune system.
| Targets |
PD1-PDL1 (IC50 = 0.006 μM)
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| ln Vitro |
In triple-negative breast cancer (TNBC), PD-1/PD-L1 inhibitor 1 causes half-reduced cell viability at lower concentrations, activates ERK in MDA-MB-231 and MCF7, significantly increases IL-8 expression in MDA-MB-231 and HCC1806, and potently downregulates IL-8 expression to its half level in MDA-MB-231.[2]
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| ln Vivo |
Epithelial-mesenchymal transition (EMT) is remarkably inhibited and reversed by PI3K/AKT signaling pathway when PD-1/PD-L1 inhibitor 1 and Jiedu Sangen Decoction (JSD) are combined.[3]
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| Cell Assay |
The MTS assay determines cell proliferation. In each well of a 96-well plate, 1-2×103 cells are plated in 100 μl of medium. After 24 hours, PD-1/PD-L1 inhibitor 1 and ERK1/2 inhibitor are added as a single or combined treatment in triplicate for 72 hours in test medium (DMEM containing 1% fetal bovine serum), diluted to the desired concentrations.
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| Animal Protocol |
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| References |
| Molecular Formula |
C29H33NO5
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| Molecular Weight |
475.58
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| Exact Mass |
475.235
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| Elemental Analysis |
C, 73.24; H, 6.99; N, 2.95; O, 16.82
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| CAS # |
1675201-83-8
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| Related CAS # |
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| PubChem CID |
91663303
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| Appearance |
White to off-white crystalline solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
630.2±55.0 °C at 760 mmHg
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| Flash Point |
334.9±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.590
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| LogP |
5.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
35
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| Complexity |
639
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O([H])C([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C1C(=C([H])C(=C([H])C=1OC([H])([H])[H])OC([H])([H])C1C([H])=C([H])C([H])=C(C2C([H])=C([H])C([H])=C([H])C=2[H])C=1C([H])([H])[H])OC([H])([H])[H])=O
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| InChi Key |
ZBOYJODMIAUJHH-SANMLTNESA-N
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| InChi Code |
InChI=1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1
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| Chemical Name |
(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
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| Synonyms |
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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 |
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| 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) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.10 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (2.10 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 1 mg/mL (2.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 10 mg/mL (21.03 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1027 mL | 10.5135 mL | 21.0270 mL | |
| 5 mM | 0.4205 mL | 2.1027 mL | 4.2054 mL | |
| 10 mM | 0.2103 mL | 1.0513 mL | 2.1027 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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