1. Anti-infection Membrane Transporter/Ion Channel
  2. Bacterial ATP Synthase
  3. Mtb ATP synthase-IN-1

Mtb ATP synthase-IN-1 (compound 6ab) is a potent Mycobacterium tuberculosis (Mtb) ATP synthase inhibitor, with MIC of 0.452-0.499 μg/mL against Mtb. Mtb ATP synthase-IN-1 has good metabolic stability, low cytotoxicity (Vero IC50 > 64 μg/mL), and acceptable oral bioavailability. Mtb ATP synthase-IN-1 can be used for researching anti-mycobacterium.

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

Mtb ATP synthase-IN-1 Chemical Structure

Mtb ATP synthase-IN-1 Chemical Structure

CAS No. : 2642394-38-3

Size Price Stock Quantity
Free Sample (0.1 - 0.5 mg)   Apply Now  
Solid + Solvent
10 mM * 1 mL in DMSO
ready for reconstitution
USD 121 In-stock
Solution
10 mM * 1 mL in DMSO USD 121 In-stock
Solid
5 mg USD 110 In-stock
10 mg USD 180 In-stock
25 mg USD 360 In-stock
50 mg USD 590 In-stock
100 mg USD 950 In-stock
200 mg   Get quote  
500 mg   Get quote  

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 1 publication(s) in Google Scholar

Top Publications Citing Use of Products
  • Biological Activity

  • Purity & Documentation

  • References

  • Customer Review

Description

Mtb ATP synthase-IN-1 (compound 6ab) is a potent Mycobacterium tuberculosis (Mtb) ATP synthase inhibitor, with MIC of 0.452-0.499 μg/mL against Mtb. Mtb ATP synthase-IN-1 has good metabolic stability, low cytotoxicity (Vero IC50 > 64 μg/mL), and acceptable oral bioavailability. Mtb ATP synthase-IN-1 can be used for researching anti-mycobacterium[1].

IC50 & Target

MIC: 0.452-0.499 μg/mL (Mtb)[1]

In Vivo

Mtb ATP synthase-IN-1 (50 mg/kg for PO, 5 mg/kg for IV; single dosage) exhibits good metabolic stability and acceptable oral bioavailability[1].
Pharmacokinetic Parameters of Mtb ATP synthase-IN-1 in male CD-1 mouse[1].

PO (50 mg/kg) IV (5 mg/kg)
Cmax (ng/mL) 1333 1241
Tmax (h) 0.83
T1/2 (h) 0.51 0.33
AUC0-t (ng/mL·h) 2197 1667
AUC0-∞ (ng/mL·h) 2198 1672
MRT0-∞ (ng/mL) 1.36 0.28
CL (mL/min/kg) 51.4
F (%) 13.1

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

Animal Model: Male CD-1 mouse[1]
Dosage: 50 and 5 mg/kg
Administration: 50 mg/kg for PO, 5 mg/kg for IV; single dosage (Pharmacokinetics Analysis)
Result: Exhibited good metabolic stability and acceptable oral bioavailability.
Molecular Weight

323.30

Formula

C17H13N3O4

CAS No.
Appearance

Solid

Color

Off-white to light brown

SMILES

O=C1C(C(NC2=CC=C3OCOC3=C2)=C1NCC4=NC=CC=C4)=O

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 : 125 mg/mL (386.64 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 3.0931 mL 15.4655 mL 30.9310 mL
5 mM 0.6186 mL 3.0931 mL 6.1862 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)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

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: ≥ 2.08 mg/mL (6.43 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

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
References

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.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 3.0931 mL 15.4655 mL 30.9310 mL 77.3276 mL
5 mM 0.6186 mL 3.0931 mL 6.1862 mL 15.4655 mL
10 mM 0.3093 mL 1.5466 mL 3.0931 mL 7.7328 mL
15 mM 0.2062 mL 1.0310 mL 2.0621 mL 5.1552 mL
20 mM 0.1547 mL 0.7733 mL 1.5466 mL 3.8664 mL
25 mM 0.1237 mL 0.6186 mL 1.2372 mL 3.0931 mL
30 mM 0.1031 mL 0.5155 mL 1.0310 mL 2.5776 mL
40 mM 0.0773 mL 0.3866 mL 0.7733 mL 1.9332 mL
50 mM 0.0619 mL 0.3093 mL 0.6186 mL 1.5466 mL
60 mM 0.0516 mL 0.2578 mL 0.5155 mL 1.2888 mL
80 mM 0.0387 mL 0.1933 mL 0.3866 mL 0.9666 mL
100 mM 0.0309 mL 0.1547 mL 0.3093 mL 0.7733 mL
  • No file chosen (Maximum size is: 1024 Kb)
  • If you have published this work, please enter the PubMed ID.
  • Your name will appear on the site.

Mtb ATP synthase-IN-1 Related Classifications

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.

Your Recently Viewed Products:

Inquiry Online

Your information is safe with us. * Required Fields.

Product Name

 

Salutation

Applicant Name *

 

Email Address *

Phone Number *

 

Organization Name *

Department *

 

Requested quantity *

Country or Region *

     

Remarks

Bulk Inquiry

Inquiry Information

Product Name:
Mtb ATP synthase-IN-1
Cat. No.:
HY-146388
Quantity:
MCE Japan Authorized Agent: