BMS-1

Alias: PD1/PDL1 inhibitor 1; PD-1/PD-L1 inhibitor 1; PD-1/PD-L1 inhibitor 1; PD1-PDL1-IN1; BMS-1; BMS 1; BMS1

Cat No.:V3097 Purity: ≥98%

COA Product Data Instructions for use SDS

BMS-1(also known as PD1-PDL1-IN1, or PD1/PD-L1 inhibitor 1) isa novel and highly potent small molecule inhibitor ofPD-1/PD-L1 protein/protein interactionwith an IC50of 6 nM.

BMS-1 Chemical Structure CAS No.: 1675201-83-8
Product category: PD-1 PD-L1

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: =99.85%

COA

MSDS

NMR

HPLC

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators

Product Description

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.

Biological Activity I Assay Protocols (From Reference)

Targets

PD1-PDL1 (IC50 = 0.006 μM)

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]

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]

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.

Animal Protocol

References

[1] WO/2015/034820, COMPOUNDS USEFUL AS IMMUNOMODULATORS.

[2] J Cancer Res Clin Oncol. 2021;147(10):2923-2933.

[3]. [2] J Cancer Res Clin Oncol. 2021;147(10):2923-2933..

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C29H33NO5

Molecular Weight

475.58

Exact Mass

475.2359

Elemental Analysis

C, 73.24; H, 6.99; N, 2.95; O, 16.82

CAS #

1675201-83-8

Related CAS #

1675201-83-8

Appearance

White to off-white crystalline solid

SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCC[C@H]4C(=O)O)OC

InChi Key

ZBOYJODMIAUJHH-SANMLTNESA-N

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

Chemical Name

(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid

Synonyms

PD1/PDL1 inhibitor 1; PD-1/PD-L1 inhibitor 1; PD-1/PD-L1 inhibitor 1; PD1-PDL1-IN1; BMS-1; BMS 1; BMS1

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

Shipping Condition

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: ~95 mg/mL (~199.7 mM)

Water: ~95 mg/mL (~199.7 mM)

Ethanol: N/A

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.

Calculator

Mass

Concentration

Volume

Molecular Weight*

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

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Desired Reconstitution Concentration

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

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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.

Note： (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.