BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride

Name: BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride
Brand: MedChemExpress
SKU: HY-131386A
Rating: 4.5 (1 reviews)

Cat. No.: HY-131386A Purity: 95.01%: FAQs
Data Sheet SDS COA Handling Instructions

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BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride incorporates a ligand for PD-1/PD-L1 immune checkpoint, and a PROTAC linker. BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride can be used in the synthesis of PROTAC PD-1/PD-L1 degrader-1 (HY-131183). PROTAC PD-1/PD-L1 degrader-1 inhibits PD-1/PD-L1 interaction with an IC₅₀ of 39.2 nM.

For research use only. We do not sell to patients.

BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride Chemical Structure

CAS No. : 2691796-83-3

Size	Price	Stock	Quantity
1 mg	USD 232	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 580	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 920	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 1900	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 3000	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 4800	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Based on 1 publication(s) in Google Scholar

Other Forms of BMS-1166-N-piperidine-CO-N-piperazine dihydrochloride:

BMS-1166-N-piperidine-CO-N-piperazine Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Cellular Effect

Cell Line	Type	Value	Description	References
HeLa	IC₅₀	2.8 μM Compound: P7	Antiproliferative activity against human HeLa cells assessed as cell viability after 48 hrs by CCK-8 assay Antiproliferative activity against human HeLa cells assessed as cell viability after 48 hrs by CCK-8 assay	[PMID: 33264007]
HepG2	IC₅₀	1.1 μM Compound: P7	Antiproliferative activity against human HepG2 cells assessed as cell viability after 48 hrs by CCK-8 assay Antiproliferative activity against human HepG2 cells assessed as cell viability after 48 hrs by CCK-8 assay	[PMID: 33264007]
Jurkat	IC₅₀	8.1 μM Compound: P7	Antiproliferative activity against human Jurkat cells assessed as cell viability after 48 hrs by CCK-8 assay Antiproliferative activity against human Jurkat cells assessed as cell viability after 48 hrs by CCK-8 assay	[PMID: 33264007]
MCF7	IC₅₀	3.2 μM Compound: P7	Antiproliferative activity against human MCF7 cells assessed as cell viability after 48 hrs by CCK-8 assay Antiproliferative activity against human MCF7 cells assessed as cell viability after 48 hrs by CCK-8 assay	[PMID: 33264007]
NCI-H1299	IC₅₀	3.6 μM Compound: P7	Antiproliferative activity against human H1299 cells assessed as cell viability after 48 hrs by CCK-8 assay Antiproliferative activity against human H1299 cells assessed as cell viability after 48 hrs by CCK-8 assay	[PMID: 33264007]

In Vitro

PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

780.18

Formula

C₄₁H₄₅Cl₃N₄O₅

CAS No.

2691796-83-3

Appearance

Solid

Color

White to off-white

SMILES

N#CC1=CC=CC(COC2=CC(OCC3=CC=CC(C4=CC=C5OCCOC5=C4)=C3C)=C(C=C2CN6CCCCC6C(N7CCNCC7)=O)Cl)=C1.Cl.Cl

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (128.18 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.2818 mL	6.4088 mL	12.8176 mL
5 mM	0.2564 mL	1.2818 mL	2.5635 mL
10 mM	0.1282 mL	0.6409 mL	1.2818 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (3.20 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: 2.5 mg/mL (3.20 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 95.01%

Select Batch:

Data Sheet (272 KB) SDS (251 KB)

COA (250 KB) HNMR (399 KB) LCMS (259 KB)

Handling Instructions (2659 KB)

References

[1]. Cheng B, Ren Y, Cao H, Chen J. Discovery of novel resorcinol diphenyl ether-based PROTAC-like molecules as dual inhibitors and degraders of PD-L1. Eur J Med Chem. 2020;199:112377. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.2818 mL	6.4088 mL	12.8176 mL	32.0439 mL
	5 mM	0.2564 mL	1.2818 mL	2.5635 mL	6.4088 mL
	10 mM	0.1282 mL	0.6409 mL	1.2818 mL	3.2044 mL
	15 mM	0.0855 mL	0.4273 mL	0.8545 mL	2.1363 mL
	20 mM	0.0641 mL	0.3204 mL	0.6409 mL	1.6022 mL
	25 mM	0.0513 mL	0.2564 mL	0.5127 mL	1.2818 mL
	30 mM	0.0427 mL	0.2136 mL	0.4273 mL	1.0681 mL
	40 mM	0.0320 mL	0.1602 mL	0.3204 mL	0.8011 mL
	50 mM	0.0256 mL	0.1282 mL	0.2564 mL	0.6409 mL
	60 mM	0.0214 mL	0.1068 mL	0.2136 mL	0.5341 mL
	80 mM	0.0160 mL	0.0801 mL	0.1602 mL	0.4005 mL
	100 mM	0.0128 mL	0.0641 mL	0.1282 mL	0.3204 mL