Methyl 2-amino-5-bromobenzoate

Cat. No.: HY-W007390 Purity: 98.70%: FAQs
Data Sheet SDS COA Handling Instructions

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Methyl 2-amino-5-bromobenzoate (compound 8/12) can be used for synthesis of 2-benzamidobenzoic acids, which are known FabH inhibitors. The derivates also inhibit PqsD, the pqs quorum sensing (QS) system of Pseudomonas aeruginosa, involving the production of a number of virulence factors and biofilm formation.

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Methyl 2-amino-5-bromobenzoate Chemical Structure

CAS No. : 52727-57-8

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Free Sample (0.1 - 0.5 mg)		Apply Now
1 g	USD 20	In-stock	Estimated Time of Arrival: December 31
5 g	USD 30	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

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Purity & Documentation
References
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Description

Molecular Weight

230.06

Formula

C₈H₈BrNO₂

CAS No.

52727-57-8

Appearance

Solid

Color

Light brown to brown

SMILES

COC(C1=C(N)C=CC(Br)=C1)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : ≥ 300 mg/mL (1304.01 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	4.3467 mL	21.7335 mL	43.4669 mL
5 mM	0.8693 mL	4.3467 mL	8.6934 mL
10 mM	0.4347 mL	2.1733 mL	4.3467 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 (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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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

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

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

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 98.89%

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Data Sheet (272 KB) SDS (393 KB)

COA (249 KB) HNMR (114 KB) RP-HPLC (187 KB)

Handling Instructions (2659 KB)

References

[1]. Weidel E, et al. Structure optimization of 2-benzamidobenzoic acids as PqsD inhibitors for Pseudomonas aeruginosa infections and elucidation of binding mode by SPR, STD NMR, and molecular docking. J Med Chem. 2013 Aug 8;56(15):6146-55. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.3467 mL	21.7335 mL	43.4669 mL	108.6673 mL
	5 mM	0.8693 mL	4.3467 mL	8.6934 mL	21.7335 mL
	10 mM	0.4347 mL	2.1733 mL	4.3467 mL	10.8667 mL
	15 mM	0.2898 mL	1.4489 mL	2.8978 mL	7.2445 mL
	20 mM	0.2173 mL	1.0867 mL	2.1733 mL	5.4334 mL
	25 mM	0.1739 mL	0.8693 mL	1.7387 mL	4.3467 mL
	30 mM	0.1449 mL	0.7244 mL	1.4489 mL	3.6222 mL
	40 mM	0.1087 mL	0.5433 mL	1.0867 mL	2.7167 mL
	50 mM	0.0869 mL	0.4347 mL	0.8693 mL	2.1733 mL
	60 mM	0.0724 mL	0.3622 mL	0.7244 mL	1.8111 mL
	80 mM	0.0543 mL	0.2717 mL	0.5433 mL	1.3583 mL
	100 mM	0.0435 mL	0.2173 mL	0.4347 mL	1.0867 mL