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| 10mg |
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NSC 191412 (CAS# 370-16-1), also known as 1-(4-fluorophenyl)-3-phenylthiourea or SBB006342, is an active compound that interacts with a variety of enzymes and receptors, including acetylcholinesterase and receptors for the neurotransmitter dopamine, and is an agonist or activator of these enzymes and receptors. It has a molecular formula of C13H11FN2S and a molecular weight of 246.30 g/mol. NSC 191412 is a thiourea derivative that contains a fluorophenyl and a phenyl substituent. The compound is typically provided with a purity of ≥98%. As a bioactive compound, NSC 191412 is used in research applications to study enzyme and receptor function.
| Targets |
The primary molecular targets of NSC 191412 include acetylcholinesterase and receptors for the neurotransmitter dopamine. Acetylcholinesterase is a serine hydrolase that terminates neurotransmission at cholinergic synapses by hydrolyzing acetylcholine. By interacting with acetylcholinesterase, NSC 191412 may modulate cholinergic signaling, potentially affecting cognitive function, muscle contraction, and autonomic nervous system activity. The dopamine receptors are G protein-coupled receptors that mediate the effects of dopamine, a neurotransmitter involved in reward, motivation, motor control, and cognition. By acting as an agonist or activator of dopamine receptors, NSC 191412 may enhance dopaminergic signaling. The compound's thiourea moiety may be responsible for its interactions with these targets, as thioureas are known to form hydrogen bonds and coordinate with metal ions. The fluorophenyl and phenyl substituents may contribute to the compound's binding affinity and selectivity. Specific target binding affinities and functional activities would need to be determined experimentally.
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| ln Vitro |
In vitro activity of NSC 191412 is characterized by its interactions with acetylcholinesterase and dopamine receptors. In acetylcholinesterase assays, NSC 191412 activates or enhances the enzyme's activity, as measured by the hydrolysis of acetylthiocholine or a fluorogenic substrate. The compound's EC50 for acetylcholinesterase activation would be determined from dose-response curves. In dopamine receptor assays, NSC 191412 acts as an agonist or activator, as measured by receptor binding assays or functional assays such as cAMP accumulation or calcium mobilization in cells expressing dopamine receptors. The compound's affinity (Ki or EC50) for dopamine receptors would be determined from binding or functional assays. The compound's selectivity for different dopamine receptor subtypes (D1, D2, D3, D4, D5) and for other neurotransmitter receptors would be assessed in selectivity profiling studies. The compound's effects on cell signaling pathways downstream of dopamine receptors, including cAMP, ERK, and AKT, would be assessed by Western blotting or ELISA.
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| ln Vivo |
In vivo activity of NSC 191412 has not been extensively reported in the available literature. As a compound that interacts with acetylcholinesterase and dopamine receptors, NSC 191412 would be expected to show effects in animal models related to cholinergic and dopaminergic function. In models of cognitive function, the compound might enhance memory and learning through its effects on acetylcholinesterase and dopamine receptors. In models of motor function, the compound might modulate movement through its effects on dopaminergic signaling. In models of neurological disorders such as Alzheimer's disease and Parkinson's disease, NSC 191412 might show therapeutic potential by modulating cholinergic and dopaminergic neurotransmission. The compound's in vivo efficacy would depend on its pharmacokinetic properties, including oral bioavailability, tissue distribution (particularly brain penetration), and metabolic stability. Specific in vivo data are not provided in the available literature, and further studies would be needed to evaluate the compound's therapeutic potential.
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| Additional Infomation |
NSC 191412 (CAS# 370-16-1) is an active compound (1-(4-fluorophenyl)-3-phenylthiourea) that interacts with acetylcholinesterase and dopamine receptors. It has a molecular formula of C13H11FN2S and a molecular weight of 246.30 g/mol. Future research could focus on characterizing the compound's interactions with acetylcholinesterase and dopamine receptors, evaluating its in vivo efficacy in animal models of neurological disorders, and developing it as a potential therapeutic for diseases involving cholinergic and dopaminergic dysfunction.
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| Molecular Formula |
C13H11FN2S
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| Molecular Weight |
246.303
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| Exact Mass |
246.063
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| CAS # |
370-16-1
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| PubChem CID |
694647
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.353g/cm3
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| Boiling Point |
347.2ºC at 760 mmHg
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| Flash Point |
163.8ºC
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| Index of Refraction |
1.726
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| LogP |
3.78
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
17
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| Complexity |
246
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)F
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| InChi Key |
KTNYUNOFVOQYRB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H11FN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
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| Chemical Name |
1-(4-Fluorophenyl)-3-phenylthiourea
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| Synonyms |
NSC191412NSC-191412NSC 191412TIMTEC-BB SBB006342
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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 | 4.0601 mL | 20.3004 mL | 40.6009 mL | |
| 5 mM | 0.8120 mL | 4.0601 mL | 8.1202 mL | |
| 10 mM | 0.4060 mL | 2.0300 mL | 4.0601 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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