Mab Aspartate Decarboxylase-IN-1

Name: Mab Aspartate Decarboxylase-IN-1
Brand: MedChemExpress
SKU: HY-150637
Rating: 4.5 (1 reviews)

Cat. No.: HY-150637 Purity: 99.50%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Mab Aspartate Decarboxylase-IN-1 is a potent aspartate decarboxylase (PanD) inhibitor with an IC₅₀ value of 56.3 µM. Mab Aspartate Decarboxylase-IN-1 shows antibacterial activity.

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

Mab Aspartate Decarboxylase-IN-1 Chemical Structure

CAS No. : 2755712-12-8

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5 mg	USD 180	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 290	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 590	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 950	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1500	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Mab Aspartate Decarboxylase-IN-1 is a potent aspartate decarboxylase (PanD) inhibitor with an IC₅₀ value of 56.3 µM. Mab Aspartate Decarboxylase-IN-1 shows antibacterial activity^[1].

IC₅₀ & Target

IC₅₀: 56.3 µM (aspartate decarboxylase (PanD))^[1].

In Vitro

Mab Aspartate Decarboxylase-IN-1 (compound analogue 2) shows inhibits against the mutants Mab PanDE119A, Mab PanDS135A and Mab PanDY126A mutants with the inhibition rates of 70.5%, 74.4%, 81.8%, respectively^[1].
Mab Aspartate Decarboxylase-IN-1 (0-200 µM) shows inhibition on mycobacterium abscessus (Mab) PanD enzyme activity in the conversion of l-Asp to β-Ala with an IC₅₀ value of 56.3±4.8 µM^[1].
Mab Aspartate Decarboxylase-IN-1 (0-4 mM) shows antibacterial activity for M. abscessus subsp. abscessus ATCC 19977 with an IC₅₀ value of 0.7mM, and M. abscessus subsp. bolletii CCUG 50184T, M. abscessus subsp. massiliense CCUG 48898T, M. abscessus subsp. abscessus Bamboo, M. abscessus subsp. abscessus ATCC 19977 with IC₅₀s of 1-2 mM^[1].
Mab Aspartate Decarboxylase-IN-1 shows mainly electrostatic- and hydrogen bonding interaction with the target enzyme^[1].

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

Molecular Weight

293.28

Formula

C₁₆H₁₁N₃O₃

CAS No.

2755712-12-8

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=NC=CN=C1NC(C2=C3C=CC=CC3=CC=C2)=O)O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture and light

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility

In Vitro:

DMSO : 16.67 mg/mL (56.84 mM; ultrasonic and warming and heat to 60°C; 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	3.4097 mL	17.0486 mL	34.0971 mL
5 mM	0.6819 mL	3.4097 mL	6.8194 mL
10 mM	0.3410 mL	1.7049 mL	3.4097 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 (sealed storage, away from moisture and light). 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

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: ≥ 1.67 mg/mL (5.69 mM); Clear solution

This protocol yields a clear solution of ≥ 1.67 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (16.7 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: ≥ 1.67 mg/mL (5.69 mM); Clear solution

This protocol yields a clear solution of ≥ 1.67 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (16.7 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 (5.69 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

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: 99.50%

Select Batch:

Data Sheet (275 KB) SDS (252 KB)

COA (256 KB) HNMR (238 KB) RP-HPLC (264 KB) MS (85 KB)

Handling Instructions (2659 KB)

References

[1]. Saw WG, et al. Structural and Mechanistic Insights into Mycobacterium abscessus Aspartate Decarboxylase PanD and a Pyrazinoic Acid-Derived Inhibitor. ACS Infect Dis. 2022 Jul 8;8(7):1324-1335. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	3.4097 mL	17.0486 mL	34.0971 mL	85.2428 mL
	5 mM	0.6819 mL	3.4097 mL	6.8194 mL	17.0486 mL
	10 mM	0.3410 mL	1.7049 mL	3.4097 mL	8.5243 mL
	15 mM	0.2273 mL	1.1366 mL	2.2731 mL	5.6829 mL
	20 mM	0.1705 mL	0.8524 mL	1.7049 mL	4.2621 mL
	25 mM	0.1364 mL	0.6819 mL	1.3639 mL	3.4097 mL
	30 mM	0.1137 mL	0.5683 mL	1.1366 mL	2.8414 mL
	40 mM	0.0852 mL	0.4262 mL	0.8524 mL	2.1311 mL
	50 mM	0.0682 mL	0.3410 mL	0.6819 mL	1.7049 mL