| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| 1g | |||
| Other Sizes |
| Targets |
0.12 μM (respiratory complex I), 2.47 μM (bo3 oxidase), 0.63 (bd-I oxidases), 1.3 μM (bd-II oxidases)
Quinone reductases and quinol oxidases. ND-011992 inhibits E. coli BL21*Δcyo respiratory complex I, bo3 oxidase, bd-I oxidase, and bd-II oxidase. It targets key enzymes involved in bacterial respiration. |
|---|---|
| ln Vitro |
At an IC50 of 3.27 µM, ND-011992 inhibits the activity of NADH oxidase in the mitochondrial membrane of the bovine heart[1].
ND-011992 inhibits bovine heart mitochondrial membrane NADH oxidase activity with an IC50 of 3.27 µM. It inhibits E. coli BL21*Δcyo respiratory complex I, bo3 oxidase, bd-I oxidase, and bd-II oxidase with IC50s of 0.12, 2.47, 0.63, and 1.3 µM, respectively. |
| ln Vivo |
In vivo activity data for ND-011992 is not extensively detailed in the literature. As a respiratory inhibitor, it is expected to show antibacterial efficacy in animal models of tuberculosis. Its quinazoline scaffold suggests it may have favorable drug-like properties.
|
| Enzyme Assay |
In vitro enzyme assays are performed using mitochondrial membranes or purified enzymes. NADH oxidase activity is measured spectrophotometrically by monitoring NADH oxidation at 340 nm. The compound is incubated with the enzyme preparation and substrate, and the inhibition of NADH oxidation is quantified.
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| Cell Assay |
In vitro antibacterial activity is assessed in E. coli cultures. Bacteria are treated with ND-011992, and growth is monitored by optical density at 600 nm. Minimum inhibitory concentration (MIC) values are determined. For tuberculosis research, activity against Mycobacterium tuberculosis is assessed.
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| Animal Protocol |
In vivo efficacy studies are performed in mouse models of tuberculosis. Mice are infected with Mycobacterium tuberculosis, and ND-011992 is administered orally or intraperitoneally. Bacterial load in lungs and spleen is quantified by colony counting. Survival rates are monitored.
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| ADME/Pharmacokinetics |
ND-011992 has a molecular weight of 381.35 and a molecular formula of C21H14F3N3O. It is a quinazoline-type inhibitor. It is stored as a powder at -20°C for 3 years or at 4°C for 2 years. In solvent, it is stored at -80°C for 6 months or at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
Detailed toxicological profiles of ND-011992 are not extensively reported. As a research compound targeting bacterial respiration, it is expected to have a manageable safety profile at the concentrations used in antibacterial assays. Cytotoxicity against mammalian cells is assessed in parallel with antibacterial activity.
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| References | |
| Additional Infomation |
ND-011992 is a research-grade quinazoline-type inhibitor. It is used for tuberculosis research. It is not approved for clinical use. Its molecular formula is C21H14F3N3O and its molecular weight is 381.35.
|
| Molecular Formula |
C21H14F3N3O
|
|---|---|
| Molecular Weight |
381.350574970245
|
| Exact Mass |
381.11
|
| Elemental Analysis |
C, 66.14; H, 3.70; F, 14.95; N, 11.02; O, 4.20
|
| CAS # |
2446880-46-0
|
| PubChem CID |
153618301
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
6.4
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
488
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
FC(C1C=CC(=CC=1)OC1C=CC(=CC=1)NC1C2C=CC=CC=2N=CN=1)(F)F
|
| InChi Key |
CAIODVXPWNFDFE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H14F3N3O/c22-21(23,24)14-5-9-16(10-6-14)28-17-11-7-15(8-12-17)27-20-18-3-1-2-4-19(18)25-13-26-20/h1-13H,(H,25,26,27)
|
| Chemical Name |
N-(4-(4-(trifluoromethyl)phenoxy)phenyl)quinazolin-4-amine
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| Synonyms |
ND-011992; ND011992; ND 011992
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6223 mL | 13.1113 mL | 26.2226 mL | |
| 5 mM | 0.5245 mL | 2.6223 mL | 5.2445 mL | |
| 10 mM | 0.2622 mL | 1.3111 mL | 2.6223 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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