BMS-1001

Alias: BMS-1001 free base; BMS-1001; BMS 1001; BMS1001
Cat No.:V3674 Purity: ≥98%
BMS-1001 is a novel and potent small molecule inhibitor of the PD-1/PD-L1 protein protein interaction with IC50 value of 2.25 nM in cell free assays.
BMS-1001 Chemical Structure CAS No.: 113650-03-4
Product category: PD-1 PD-L1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
1mg
2mg
5mg
10mg
25mg
Other Sizes

Other Forms of BMS-1001:

  • CCRP2 HCl
  • BMS-1001 HCl
  • CCRP2
Official Supplier of:
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

BMS-1001 is a novel and potent small molecule inhibitor of the PD-1/PD-L1 protein protein interaction with IC50 value of 2.25 nM in cell free assays. By Bristol-Myers Squibb, it was first uncovered. Significant advancements in the treatment of cancer have been made possible by blocking the PD-1/PD-L1 immune checkpoint pathway with monoclonal antibodies. Numerous drawbacks of antibody-based immunotherapies include their immunogenicity, short half-lives, and high cost of the antibodies. Due to the lack of complete structural knowledge for this pathway, small-molecule PD-1/PD-L1 inhibitor development is slow and may not be able to address these issues. BMS-1001 and its analogs, the first chemically derived PD-1/PD-L1 inhibitors, were recently made public by Bristol-Myers Squibb.

Biological Activity I Assay Protocols (From Reference)
Targets
PD-1/PD-L1 (EC50 = 253 nM)
ln Vitro
BMS-1001 reduces the inhibition of T-cell receptor-mediated activation of T lymphocytes by soluble PD-L1. BMS-1001 is effective at reducing the PD-L1-associated cell surface protein's inhibitory effect.[1]
ln Vivo

Enzyme Assay
BMS disclosed recently the first nonpeptidic small molecule inhibitors against the PD-1/PD-L1 pathway that showed the activity in a homogeneous time-resolved fluorescence (HTRF) binding assay; however no further data supporting their activity were provided.
Cell Assay
BMS-1001 reduces the inhibition of T-cell receptor-mediated activation of T lymphocytes by soluble PD-L1. The cell surface-associated PD-L1 inhibitory effect is successfully reduced by BMS-1001. [1] The ECs are stimulated with the anti-CD3 antibody in the presence of the recombinant human sPD-L1 in order to assess the effect of the BMS on the inhibition of T cells by soluble PD-L1. For this, 5 g/ml of the anti-CD3 antibody or the isotype control solution in PBS are coated onto the 96-well white flat bottom plates overnight at 4°C. After the plates have been dried and three PBS washes, the antibody solution is removed. In the presence of BMS-1001 or a corresponding volume of DMSO, PBS is supplemented with penicillin/streptomycin solution (100 U/ml final concentration each) and diluted with sPD-L1 (aa 18–134). The solution is then poured into each well of the antibody-coated plate in a volume of 15 μl. Before adding 60 μl of the cell solution to each well, ECs are centrifuged and diluted to 50 000 per ml. In its final state, sPD-L1 had a concentration of 10 μg/ml (0.6 μM). The final BMS-1001 concentrations are 0.12, 0.3, 1.2, and 3 μM, corresponding to the molar ratios of 1:5, 1:2, 2:1, and 5:1 between BMS and sPD-L1. Utilizing the Bio-Glo Luciferase Assay System, the cells are cultured for 24 hours before the luciferase activity assay is carried out.
Animal Protocol


References

[1]. Oncotarget . 2017 Aug 7;8(42):72167-72181.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C35H34N2O7
Molecular Weight
594.66
Exact Mass
594.24
Elemental Analysis
C, 70.69; H, 5.76; N, 4.71; O, 18.83
CAS #
113650-03-4
Appearance
Solid powder
SMILES
OC[C@H](C(O)=O)NCC1=CC(C)=C(OCC2=CC=CC(C3=CC=C4OCCOC4=C3)=C2C)C=C1OCC5=CC=CC(C#N)=C5
InChi Key
UWNXGZKSIKQKAH-SSEXGKCCSA-N
InChi Code
InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
Chemical Name
(2-((3-Cyanobenzyl)oxy)-4-((3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylbenzyl)oxy)-5-methylbenzyl)-D-serine
Synonyms
BMS-1001 free base; BMS-1001; BMS 1001; BMS1001
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: ~10mM
Water: N/A
Ethanol: N/A
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.6816 mL 8.4082 mL 16.8163 mL
5 mM 0.3363 mL 1.6816 mL 3.3633 mL
10 mM 0.1682 mL 0.8408 mL 1.6816 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

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

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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?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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.)
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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.

(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.

Biological Data
  • BMS-242

    Structures and the PD-1/PD-L1 blocking potential of BMS compounds.2017Aug 7;8(42):72167-72181.

  • BMS-242

    Cytotoxicity and activity of BMS compounds in PD-1/PD-L1 checkpoint assay.2017Aug 7;8(42):72167-72181.

  • BMS-242


    BMS compounds restore the sPD-L1-supressed activation of Jurkat T-cells.2017

  • BMS-242

    BMS-1166 induces binding cleft opening.2017Aug 7;8(42):72167-72181.

  • BMS-242

    Decomposition of BMS-1166.2017Aug 7;8(42):72167-72181.

  • BMS-242


    he prediction of BMS-1001 and −1166 binding sites on PD-L1 surface.2017Aug 7;8(42):72167-72181.

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