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  4. I2906

I2906 is an orally active isocitrate lyase (ICL) inhibitor with a Mycobacterium tuberculosis IC50 of 134.3 μg/mL. I2906 inhibits the growth of Mycobacterium tuberculosis. I2906 can be used for the research of tuberculosis.

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

I2906

I2906 Chemical Structure

CAS No. : 331963-29-2

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10 mM * 1 mL in DMSO
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Based on 1 publication(s) in Google Scholar

I2906 Related Antibodies

Top Publications Citing Use of Products

1 Publications Citing Use of MCE I2906

  • Biological Activity

  • Purity & Documentation

  • References

  • Customer Review

Description

I2906 is an orally active isocitrate lyase (ICL) inhibitor with a Mycobacterium tuberculosis IC50 of 134.3 μg/mL. I2906 inhibits the growth of Mycobacterium tuberculosis. I2906 can be used for the research of tuberculosis[1].

In Vitro

I2906 (134.3 μg/mL) inhibits Mycobacterium tuberculosis isocitrate lyase with an IC50 of 134.3 μg/mL[1].
I2906 inhibits growth of Mycobacterium tuberculosis H37Ra with an MIC of 0.5 μg/mL[1].
I2906 inhibits growth of Mycobacterium tuberculosis H37Rv and multidrug-resistant strain OB35 with an MIC of 0.50 μg/mL for each[1].
I2906 inhibits growth of all fully susceptible clinical Mycobacterium tuberculosis isolates with an MIC of 0.54 μg/mL[1].
I2906 inhibits growth of non-XDR clinical drug-resistant Mycobacterium tuberculosis isolates with MIC50s ranging from 0.54 to 8.0 μg/mL[1].
I2906 inhibits growth of all extensively drug-resistant Mycobacterium tuberculosis isolates with an MIC of ≥4.33 μg/mL[1].
I2906 (0-200 μg/mL; 24 h) exhibits low cytotoxicity against THP-1 human acute monocytic leukemia cells with an IC50 of 60.26 μg/mL, resulting in a selectivity index of ~120 for Mycobacterium tuberculosis H37Rv and ~30 for most multidrug-resistant strains[1].

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

I2906 Related Antibodies
In Vivo

I2906 (625 mg/kg; p.o.; 5 days/week; 8 weeks) reduces bacterial loads in the lungs and spleen of M. tuberculosis H37Rv-infected mice at week 4 and eliminates infection-related mortality[1].
I2906 (312.5-625 mg/kg; p.o.; 5 days/week; 6 weeks) reduces bacterial loads in the lungs and spleen of multidrug-resistant M. tuberculosis-infected mice at the 312.5 mg/kg dose, reduces mortality, and lessens lung lesion severity[1].

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

Animal Model: BALB/c (female, average weight 20 g, intravenously inoculated via tail vein with 1.5 × 105 CFU of Mycobacterium tuberculosis H37Rv)[1]
Dosage: 625 mg/kg
Administration: p.o.; 5 days/week; 8 weeks
Result: Eliminated infection-related mortality, compared to 4 infection-related deaths in untreated controls.
Reduced bacterial loads in lungs by 0.85 log10 (p = 0.0492) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 7.10.
Reduced bacterial loads in spleen by 0.75 log10 (p = 0.0088) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 5.98.
Reduced gross lung lesions from +++ (untreated) to ++ at week 4.
Showed lung CFU counts (8.30 log10) similar to untreated controls at week 8.
Reduced lung CFU counts by 1.13 log10 units (p = 0.0188) relative to isoniazid-only treatment when combined with isoniazid at week 8.
Animal Model: BALB/c (female, average weight 20 g, intravenously inoculated via tail vein with 2.0 × 105 CFU of multidrug-resistant Mycobacterium tuberculosis strain OB35)[1]
Dosage: 312.5 mg/kg; 625 mg/kg
Administration: p.o.; 5 days/week; 6 weeks
Result: Reduced mortality: at 625 mg/kg dose, 9/15 mice died (first death on day 28), compared to 10/15 deaths in untreated controls (first death on day 15); at 312.5 mg/kg dose, 6/15 mice died (first death on day 32).
At 625 mg/kg dose, reduced lung bacterial loads by 1.20 log10 (p = 0.0038) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 8.01.
At 625 mg/kg dose, reduced spleen bacterial loads by 0.65 log10 (p = 0.0033) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 6.95.
At 312.5 mg/kg dose, reduced lung bacterial loads by 1.40 log10 (p = 0.00001) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 7.81.
At 312.5 mg/kg dose, reduced spleen bacterial loads by 0.73 log10 (p = 0.0014) relative to untreated controls at week 4, with corresponding log10 CFU/organ value of 6.87.
Reduced gross lung lesions from +++ (untreated) to ++ for both doses at week 4.
At 625 mg/kg dose, reduced lung bacterial loads by 1.17 log10 (p = 0.00001) relative to untreated controls at week 6, with corresponding log10 CFU/organ value of 7.93.
At 625 mg/kg dose, reduced spleen bacterial loads by 0.62 log10 (p = 0.0362) relative to untreated controls at week 6, with corresponding log10 CFU/organ value of 7.19.
At 312.5 mg/kg dose, reduced lung bacterial loads by 1.76 log10 (p = 0.0002) relative to untreated controls at week 6, with corresponding log10 CFU/organ value of 7.34.
At 312.5 mg/kg dose, reduced spleen bacterial loads by 0.94 log10 (p = 0.0495) relative to untreated controls at week 6, with corresponding log10 CFU/organ value of 6.87.
Maintained lung lesions at ++ for both doses at week 6, compared to +++ in untreated controls.
Molecular Weight

443.58

Formula

C25H37N3O4
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

O=C1C(C(NNC(CCCCCCCCCCCC)=O)=O)=C(O)C2=CC=CC=C2N1CC
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 : 25 mg/mL (56.36 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 2.2544 mL 11.2719 mL 22.5438 mL
5 mM 0.4509 mL 2.2544 mL 4.5088 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)

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

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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 (5.64 mM); Suspended solution; Need ultrasonic

    This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

    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% Corn Oil

    Solubility: ≥ 2.5 mg/mL (5.64 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 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 (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

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mg/kg

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(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, 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.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.2544 mL 11.2719 mL 22.5438 mL 56.3596 mL
5 mM 0.4509 mL 2.2544 mL 4.5088 mL 11.2719 mL
10 mM 0.2254 mL 1.1272 mL 2.2544 mL 5.6360 mL
15 mM 0.1503 mL 0.7515 mL 1.5029 mL 3.7573 mL
20 mM 0.1127 mL 0.5636 mL 1.1272 mL 2.8180 mL
25 mM 0.0902 mL 0.4509 mL 0.9018 mL 2.2544 mL
30 mM 0.0751 mL 0.3757 mL 0.7515 mL 1.8787 mL
40 mM 0.0564 mL 0.2818 mL 0.5636 mL 1.4090 mL
50 mM 0.0451 mL 0.2254 mL 0.4509 mL 1.1272 mL
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  • 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:

I2906331963-29-2I 2906I-2906Bacterialisocitrate lyaseMycobacterium tuberculosisextensively drug-resistant Mycobacterium tuberculosisisoniazidMycobacterium tuberculosis H37RaTHP-1 human acute monocytic leukemia cellsmultidrug-resistant Mycobacterium tuberculosismouse lungsmouse spleensMycobacterium tuberculosis H37RvInhibitorinhibitorinhibit

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