BMS-378806 (Synonyms: BMS-806)

Name: BMS-378806
Brand: MedChemExpress
SKU: HY-14134
Rating: 5.0 (5 reviews)

Cat. No.: HY-14134 Purity: 98.94%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

BMS-378806 is a potent HIV-1 attachment inhibitor that interferes with CD4-gp120 interactions. BMS-378806 selectively inhibits the binding of HIV-1 gp120 to the CD4 receptor with EC₅₀ of 0.85-26.5 nM in virus.

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

BMS-378806 Chemical Structure

CAS No. : 357263-13-9

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 161	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 161	In-stock	Estimated Time of Arrival: December 31
Solid
1 mg	USD 54	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 146	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 235	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 480	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 750	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1100	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Customer Review

Based on 5 publication(s) in Google Scholar

5 Publications Citing Use of MCE BMS-378806

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HIV HIV-1 HIV-2

Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

HIV-1

HIV-2

Cellular Effect

Cell Line	Type	Value	Description	References
HeLa	CC₅₀	> 300 μM Compound: 7, BMS-378806	Cytotoxicity against human HeLa cells expressing CD4, CCR5 after 3 days Cytotoxicity against human HeLa cells expressing CD4, CCR5 after 3 days	[PMID: 23200254]
HeLa	EC₅₀	1 nM Compound: 7, BMS-378806	Antiviral activity against HIV1 JR-FL in human HeLa cells expressing CD4, CCR5 assessed as inhibition of integration of viral DNA into cell genome after 3 days by luciferase reporter gene assay Antiviral activity against HIV1 JR-FL in human HeLa cells expressing CD4, CCR5 assessed as inhibition of integration of viral DNA into cell genome after 3 days by luciferase reporter gene assay	[PMID: 23200254]
MT2	CC₅₀	> 300 μM Compound: 3, BMS-377806	Cytotoxicity against human MT2 cells after 3 days by XTT assay Cytotoxicity against human MT2 cells after 3 days by XTT assay	[PMID: 19769332]
U-87MG ATCC	CC₅₀	> 40000 nM Compound: 1, BMS-378806,BMS-806	Cytotoxicity against human U87 cells coexpressing CD4, CxCR4 receptors after 72 hrs Cytotoxicity against human U87 cells coexpressing CD4, CxCR4 receptors after 72 hrs	[PMID: 19534463]
U-87MG ATCC	IC₅₀	8 nM Compound: 26, BMS-378806	Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5 after 72 hrs by M33 pseudotyped assay Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5 after 72 hrs by M33 pseudotyped assay	[PMID: 18052117]

In Vitro

In a series of biochemical assays, BMS-378806 is not an effective inhibitor of HIV integrase, protease, or reverse transcriptase, but did compete with soluble CD4 binding to a monomeric form of gp120 in an ELISA assay with IC₅₀=100 nM. The specificity of BMS-378806 toward inhibition of HIV-1 is confirmed by evaluation against HIV-2, SIV, MuLV, RSV, HCMV, BVDV, VSV, and influenza virus, with no significant inhibitory activity observed at concentrations ranging from 10 to 30 μM and no overt cytotoxicity toward the host cells, CC₅₀>225 μM. BMS-378806 is not a potent inhibitor of any of the five major human CYP isoforms, evaluated as recombinant preparations, with IC₅₀ values of >100 μM for CYP1A2 and CYP2C9, 23 μM for CYP2C19, 20 μM for CYP2D6, and 39 to 81 μM for CYP3A4. Moreover, since BMS-378806 is metabolized by CYP450 1A2, 2D6, and 3A4, it is unlikely to lead to severe drug−drug interactions in a clinical setting^[1]. BMS-378806 inhibits viral replication by interfering with the binding interactions of gp120 with the cellular CD4 receptor. The IC₅₀s determined for the gp120s from HIV LAI, BAL, NA420LN40, SF162, NL4-3, NA420B33, YU2, AD8, JRCSF, and 92US15.6 are 0.1, 0.1, 0.3, 0.5, 0.6, 0.7, 0.9, 1.0, 1.1, and 1.6 μM, respectively. A similar observation is also made for BMS-378806 (IC₅₀s range from 0.2 to 9.6 μM)^[2]. BMS-378806 binds directly to gp120 at a stoichiometry of approximately 1:1, with a binding affinity similar to that of soluble CD4. The potential BMS-378806 target site is localized to a specific region within the CD4 binding pocket of gp120 by using HIV-1 gp120 variants carrying either compound-selected resistant substitutions or gp120-CD4 contact site mutations^[3].

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

In Vivo

In toxicology studies, BMS-378806 is well tolerated in rats at doses of 100 mg/kg/day for 2 weeks and in dogs at doses of 90 mg/kg for 10 days. The dose-proportional increases in the AUC and C_max are observed between doses of 5 and 25 mpk, when BMS-378806 is administered either in the solution or suspension formulation. In all three species, plasma levels of drug exceeded the concentrations required to half-maximally inhibit virus replication in vitro. The volume of distribution of BMS-378806 ranges from 0.4 to 0.6 L/kg, indicative of partitioning beyond plasma; however, examination of brain levels in the rat reveals minimal CNS penetration^[1].

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

Molecular Weight

406.43

Formula

C₂₂H₂₂N₄O₄

CAS No.

357263-13-9

Appearance

Solid

Color

White to off-white

SMILES

COC1=C2C(NC=C2C(C(N3CCN(C[C@H]3C)C(C4=CC=CC=C4)=O)=O)=O)=NC=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (123.02 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	2.4604 mL	12.3022 mL	24.6045 mL
5 mM	0.4921 mL	2.4604 mL	4.9209 mL
10 mM	0.2460 mL	1.2302 mL	2.4604 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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 (6.15 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 (6.15 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 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.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 1.67 mg/mL (4.11 mM); Clear solution

This protocol yields a clear solution of ≥ 1.67 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (16.7 mg/mL) to 900 μL Corn oil, and mix evenly.

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: 98.94%

Select Batch:

Data Sheet (288 KB) SDS (251 KB)

COA (260 KB) LCMS (97 KB)

Handling Instructions (2659 KB)

References

[1]. Wang T, et al. Discovery of 4-benzoyl-1-[(4-methoxy-1H- pyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2- (R)-methylpiperazine (BMS-378806): a novel HIV-1 attachment inhibitor that interferes with CD4-gp120 interactions. J Med Chem. 2003 Sep 25;46(20):4236-9. [Content Brief]

[2]. Ho HT, et al. Envelope conformational changes induced by human immunodeficiency virus type 1 attachment inhibitors prevent CD4 binding and downstream entry events. J Virol. 2006 Apr;80(8):4017-25. [Content Brief]

[3]. Guo Q, et al. Biochemical and genetic characterizations of a novel human immunodeficiency virus type 1 inhibitor that blocks gp120-CD4 interactions. J Virol. 2003 Oct;77(19):10528-36 [Content Brief]

Kinase Assay ^[3]	To measure gp120-CD4 binding, the wild-type or variant gp120 proteins are first captured onto a plate by D7324 antibody. CD4 binding is initiated by adding sCD4 to a gp120-coated plate. To determine the ability of BMS-378806 to compete with sCD4 for gp120 binding, the compound is added simultaneously with sCD4 and reactions are carried out in buffer C (50 mM Tris-HCl [pH 7.5], 100 mM NaCl, 1% bovine serum albumin) for 2 h at room temperature. After washing with buffer B (20 mM Tris-HCl, 500 mM NaCl, 0.05% Tween 20 [pH 7.5]), the bound CD4 is detected with OKT4 antibody (0.36 μg/mL) and goat anti-mouse peroxidase conjugate. Bound antibody is detected with 3,3′,5,5′-tetramethylbenzidine chromogenic substrate for peroxidase^[3]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration ^[1]	Rats, Dogs and Monkeys^[1] The pharmacokinetic properties of BMS-378806 in the rat, dog, and cynomolgus monkey are summarized. The oral bioavailability of BMS-378806 in rats, administered as a solution in PEG 400/EtOH (90:10 v/v), is 19% at a dose of 5 mg/kg while an aqueous crystalline suspension of free base in 0.75% (w/w) Methocel A4M Premium administered orally at the same dose afforded a relative bioavailability of 61%. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Wang T, et al. Discovery of 4-benzoyl-1-[(4-methoxy-1H- pyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2- (R)-methylpiperazine (BMS-378806): a novel HIV-1 attachment inhibitor that interferes with CD4-gp120 interactions. J Med Chem. 2003 Sep 25;46(20):4236-9. [Content Brief] [2]. Ho HT, et al. Envelope conformational changes induced by human immunodeficiency virus type 1 attachment inhibitors prevent CD4 binding and downstream entry events. J Virol. 2006 Apr;80(8):4017-25. [Content Brief] [3]. Guo Q, et al. Biochemical and genetic characterizations of a novel human immunodeficiency virus type 1 inhibitor that blocks gp120-CD4 interactions. J Virol. 2003 Oct;77(19):10528-36 [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.4604 mL	12.3022 mL	24.6045 mL	61.5112 mL
	5 mM	0.4921 mL	2.4604 mL	4.9209 mL	12.3022 mL
	10 mM	0.2460 mL	1.2302 mL	2.4604 mL	6.1511 mL
	15 mM	0.1640 mL	0.8201 mL	1.6403 mL	4.1007 mL
	20 mM	0.1230 mL	0.6151 mL	1.2302 mL	3.0756 mL
	25 mM	0.0984 mL	0.4921 mL	0.9842 mL	2.4604 mL
	30 mM	0.0820 mL	0.4101 mL	0.8201 mL	2.0504 mL
	40 mM	0.0615 mL	0.3076 mL	0.6151 mL	1.5378 mL
	50 mM	0.0492 mL	0.2460 mL	0.4921 mL	1.2302 mL
	60 mM	0.0410 mL	0.2050 mL	0.4101 mL	1.0252 mL
	80 mM	0.0308 mL	0.1538 mL	0.3076 mL	0.7689 mL
	100 mM	0.0246 mL	0.1230 mL	0.2460 mL	0.6151 mL

BMS-378806 Related Classifications

Infection

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

BMS-378806357263-13-9BMS-806BMS378806BMS 378806BMS806BMS 806HIVHuman immunodeficiency virusInhibitorinhibitorinhibit

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BMS-378806 (Synonyms: BMS-806)

Customer Review

BMS-378806 Related Antibodies

5 Publications Citing Use of MCE BMS-378806

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All HIV Isoform Specific Products:

Biological Activity

Protocol

Purity & Documentation

References

Customer Review

BMS-378806 Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

BMS-378806 Related Classifications

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