BMS-813160 | CAS#1286279-29-5 | CCR2/CCR5 antagonist

MedKoo Cat#: 407861 | Name: BMS-813160

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BMS-813160 is a selective and potent small-molecule antagonist of the chemokine receptors CCR2 and CCR5. In vitro studies demonstrate that BMS-813160 effectively inhibits CCL2-induced CCR2 activation and CCL5-induced CCR5 activation with low nanomolar IC₅₀ values. The compound blocks receptor-mediated calcium flux and chemotaxis in immune cells, reducing monocyte and T-cell migration. Additionally, it exhibits strong binding affinity for both receptors and prevents ligand-induced receptor internalization. These properties suggest its potential utility in modulating inflammatory and fibrotic processes in disease models.

Chemical Structure

BMS-813160

CAS#1286279-29-5

Theoretical Analysis

MedKoo Cat#: 407861

Name: BMS-813160

CAS#: 1286279-29-5

Chemical Formula: C25H40N8O2

Exact Mass: 484.3274

Molecular Weight: 484.65

Elemental Analysis: C, 61.96; H, 8.32; N, 23.12; O, 6.60

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 165.00	Ready to ship
25mg	USD 350.00	Ready to ship
50mg	USD 550.00	Ready to ship
100mg	USD 950.00	Ready to ship
200mg	USD 1,450.00	Ready to ship
500mg	USD 2,650.00	Ready to ship
1g	USD 3,450.00	Ready to ship

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Related CAS #

No Data

Synonym

BMS-813160; BMS813160; BMS 813160;

IUPAC/Chemical Name

N-[(1R,2S,5R)-5-[(1,1-Dimethylethyl)amino]-2-[(3S)-3-[[7-(1,1-dimethylethyl)pyrazolo[1,5-a]-1,3,5-triazin-4-yl]amino]-2-oxo-1-pyrrolidinyl]cyclohexyl]acetamide

InChi Key

CMVHFGNTABZQJU-HCXYKTFWSA-N

InChi Code

InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1

SMILES Code

CC(N[C@H]1[C@@H](N2C([C@@H](NC3=NC=NC4=CC(C(C)(C)C)=NN43)CC2)=O)CC[C@@H](NC(C)(C)C)C1)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

The G-protein coupled chemokine receptors CCR2 and CCR5 are expressed on the surface of monocytes and macrophages, and stimulate their migration and infiltration; they play key roles in inflammation and autoimmune disease. CCR2 and CCR5 are overexpressed in certain cancer cell types, and are also involved in angiogenesis, and in tumor cell migration, proliferation and metastasis.

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#C8R09B27

QC Data

View QC data: current batch, Lot#C8R09B27

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

BMS-813160 is the first dual CCR2/CCR5 antagonist.

In vitro activity:

BMS-813160 is a potent and selective dual antagonist of the chemokine receptors CCR2 and CCR5. In vitro studies have demonstrated its strong binding affinity to both receptors, with IC₅₀ values of 6.2 nM for CCR2 and 3.6 nM for CCR5. Functionally, BMS-813160 effectively inhibits chemotaxis of immune cells mediated by these receptors. Additionally, it exhibits favorable pharmacokinetic properties, including good permeability at pH 7.4 and excellent stability in human liver microsomes.

In vivo activity:

BMS-813160 is an investigational dual antagonist of the CCR2 and CCR5 chemokine receptors, developed by Bristol-Myers Squibb (BMS) for oncology applications. Its in vivo activity data, primarily derived from preclinical studies, highlight its role in modulating the tumor microenvironment (TME) to enhance antitumor immunity. Below is a summary of the key aspects of its in vivo activity based on available information: Mechanism and Target Target: CCR2/CCR5 receptors, which are implicated in recruiting immunosuppressive myeloid cells (e.g., tumor-associated macrophages) and regulatory T cells (Tregs) to tumors. Action: By blocking these receptors, BMS-813160 aims to reduce immunosuppressive cell infiltration and promote cytotoxic T cell activity. Preclinical In Vivo Efficacy Syngeneic Mouse Models: Demonstrated reduced tumor growth in models such as colorectal and pancreatic cancers. Enhanced efficacy when combined with anti-PD-1/PD-L1 therapies (e.g., nivolumab), suggesting synergy with checkpoint inhibitors. Immune Modulation: Decreased tumor-associated macrophages (TAMs) and Tregs in the TME. Increased infiltration of CD8+ T cells, correlating with improved antitumor responses. Biomarker Changes: Reduced levels of CCR2/CCR5 ligands (e.g., CCL2, CCL5) in tumor tissue. Downregulation of immunosuppressive cytokines (e.g., IL-10, TGF-β). Pharmacokinetics (PK) Oral Bioavailability: Suitable for oral dosing in animal models. Exposure: Sustained plasma concentrations (AUC) and adequate half-life to support once- or twice-daily dosing regimens. Safety/Tolerability Preclinical studies reported manageable toxicity profiles, with no significant body weight loss or organ toxicity at therapeutic doses.

	Solvent	mg/mL	mM
Solubility
	DMSO	61.0	125.86
	Ethanol	97.0	200.14

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 484.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

N/A

In vitro protocol:

BMS-813160 is a potent dual antagonist of the CCR2 and CCR5 chemokine receptors, and its in vitro activities have been characterized in several studies. In one study, compound 3 (BMS-813160) demonstrated good permeability at pH 7.4 in parallel artificial membrane permeability assay (PAMPA) experiments and exhibited excellent stability in human liver microsomes. Regarding the preparation of stock solutions for in vitro assays, a typical method involves dissolving BMS-813160 in dimethyl sulfoxide (DMSO) to create a master stock solution. This stock can then be diluted with appropriate cell culture media to achieve the desired final concentrations for experimental use. It's essential to ensure that the DMSO concentration does not exceed 0.1% in the final assay mixture to avoid potential cytotoxic effects.

In vivo protocol:

In preclinical studies, BMS-813160 has demonstrated efficacy in reducing the migration of inflammatory monocytes and macrophages in vivo. In a mouse model of thioglycollate-induced peritonitis, oral administration of BMS-813160 at doses ranging from 10 to 160 mg/kg twice daily for two days resulted in a dose-dependent decrease in peritoneal infiltration of these immune cells. For in vivo studies, BMS-813160 has been formulated as a solution containing DMSO, PEG300, Tween 80, and double-distilled water (ddH₂O). This formulation has been used in animal studies to assess the compound's pharmacokinetics and efficacy. These findings suggest that BMS-813160 effectively modulates inflammatory responses in vivo, supporting its potential as a therapeutic agent for conditions involving excessive inflammation.

1: Norman P. A dual CCR2/CCR5 chemokine antagonist, BMS-813160? Evaluation of WO2011046916. Expert Opin Ther Pat. 2011 Dec;21(12):1919-24. doi: 10.1517/13543776.2011.622750. Epub 2011 Sep 22. Review. PubMed PMID: 21936726.