| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Ki: 120 nM (nNOS)[1]
Neuronal nitric oxide synthase (nNOS or NOS1), a member of the NOS family that produces nitric oxide (NO) from L-arginine. nNOS is primarily expressed in neuronal tissues and plays critical roles in neurotransmission, synaptic plasticity, and neuroprotection. Overactivation of nNOS leads to excessive NO production, contributing to excitotoxicity, oxidative stress, and neurodegenerative processes. By selectively inhibiting nNOS, NOS1-IN-1 modulates NO signaling in the nervous system, making it a valuable tool for studying the pathophysiological roles of nNOS in neurological disorders. |
|---|---|
| ln Vitro |
NOS1-IN-1 demonstrates potent inhibition of nNOS with a Ki of 120 nM. It exhibits excellent selectivity, with Ki values of 39 μM for eNOS and 325 μM for iNOS, corresponding to 2617-fold and 325-fold selectivity over these isoforms, respectively. This high selectivity makes NOS1-IN-1 a valuable tool for dissecting the specific roles of nNOS versus other NOS isoforms in various physiological and pathological processes, particularly in the central nervous system.
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| ln Vivo |
In vivo, NOS1-IN-1 is used for the research of neurological diseases, including cerebral palsy (CP). By selectively inhibiting nNOS, the compound can reduce excessive NO production in neuronal tissues, potentially mitigating excitotoxicity and oxidative damage associated with various neurological conditions. However, detailed in vivo efficacy data in animal models of specific diseases are limited in the available literature.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (cell-free) assay for NOS1-IN-1 typically involves measuring the inhibition of NOS enzymatic activity using purified recombinant nNOS, eNOS, and iNOS enzymes. The assay is conducted by incubating the enzyme with L-arginine substrate and cofactors (NADPH, FAD, FMN, BH4) in the presence of varying concentrations of the inhibitor. The production of nitric oxide (NO) or citrulline is measured colorimetrically or radiometrically. The inhibition constant (Ki) is determined from dose-response curves using appropriate kinetic models.
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| Cell Assay |
In vitro cellular assays for NOS1-IN-1 are performed using neuronal cell lines or primary neuronal cultures that express nNOS. Cells are treated with varying concentrations of the compound, and nNOS activity is assessed by measuring NO production using the Griess reagent or fluorescent NO probes such as DAF-FM DA. The compound's cell-permeable nature allows for direct intracellular inhibition of nNOS, enabling the study of nNOS-mediated NO signaling in living cells. Cytotoxicity is typically assessed alongside to determine the compound's safety profile.
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| Animal Protocol |
In vivo animal experiments for NOS1-IN-1 are conducted in rodent models of neurological diseases, such as cerebral palsy. The compound is administered via appropriate routes (e.g., intraperitoneal injection or oral gavage) at various dose levels. Pharmacodynamic endpoints include the measurement of NO levels or its metabolites (nitrate/nitrite) in brain tissues or cerebrospinal fluid, assessment of neuronal injury markers, and behavioral evaluations to determine the functional outcomes of nNOS inhibition.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for NOS1-IN-1 are limited. As a small molecule with a molecular weight of 589.37 g/mol, the compound is described as cell-permeable, suggesting it can cross biological membranes. However, detailed parameters such as half-life, bioavailability, clearance, and volume of distribution have not been extensively reported in the available literature. Further pharmacokinetic studies would be required to fully characterize its absorption, distribution, metabolism, and excretion (ADME) properties.
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| Toxicity/Toxicokinetics |
Toxicology data for NOS1-IN-1 are limited. The compound is intended for research purposes only and is not approved for human use. No significant toxicities have been reported in the available literature. As with any NOS inhibitor, potential off-target effects may occur at higher concentrations, although the high selectivity of NOS1-IN-1 for nNOS over eNOS and iNOS suggests a favorable safety profile with respect to cardiovascular and immune functions.
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| References |
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| Additional Infomation |
NOS1-IN-1 (CAS: 357965-99-2) is a research compound with the molecular formula C14H24F9N7O8 and a molecular weight of 589.37. It is also known as nNOS Inhibitor I. The compound is a selective and cell-permeable nNOS inhibitor used primarily for neurological disease research. NOS1-IN-1 is not approved for human use and is intended for research purposes only. Its high selectivity for nNOS makes it a valuable tool for studying the specific roles of neuronal nitric oxide synthase in various physiological and pathological processes.
|
| Molecular Formula |
C14H24F9N7O8
|
|---|---|
| Molecular Weight |
589.37
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| Exact Mass |
589.154
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| CAS # |
357965-99-2
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| PubChem CID |
71311606
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| Appearance |
White to off-white solid powder
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| LogP |
3.044
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
21
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
38
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| Complexity |
324
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
C(C[C@@H](CNCCN)N)CN=C(N)N[N+](=O)[O-].C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
|
| InChi Key |
NYWNMNBIORWOSQ-QTPLPEIMSA-N
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| InChi Code |
InChI=1S/C8H21N7O2.3C2HF3O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17;3*3-2(4,5)1(6)7/h7,12H,1-6,9-10H2,(H3,11,13,14);3*(H,6,7)/t7-;;;/m0.../s1
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| Chemical Name |
2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine;2,2,2-trifluoroacetic acid
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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 | 1.6967 mL | 8.4836 mL | 16.9673 mL | |
| 5 mM | 0.3393 mL | 1.6967 mL | 3.3935 mL | |
| 10 mM | 0.1697 mL | 0.8484 mL | 1.6967 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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