| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
Fatty acid amide hydrolase (FAAH).
|
|---|---|
| ln Vitro |
FAAH-IN-1 (Compound 8) is an inhibitor of fatty acid amide hydrolase (FAAH), with IC50 values for rat and human FAAH of 145 nM and 650 nM, respectively [1].
FAAH-IN-1 inhibits rat and human FAAH with IC50 values of 145 nM and 650 nM, respectively. By blocking FAAH-mediated hydrolysis, it increases the levels of endogenous fatty acid amides such as anandamide and oleoylethanolamide. |
| ln Vivo |
By inhibiting FAAH, the compound is expected to increase anandamide levels in vivo, leading to CB1 and CB2 receptor-mediated effects including analgesia, anti-inflammation, and anxiolysis. It may show efficacy in animal models of pain, anxiety, and inflammation.
|
| Enzyme Assay |
FAAH enzyme activity assays are performed using membrane preparations from cells expressing rat or human FAAH. The enzyme is incubated with the radiolabeled substrate [14C]-anandamide or a fluorogenic substrate. The hydrolysis product is quantified by scintillation counting or fluorescence measurement. IC50 values are determined from inhibition curves.
|
| Cell Assay |
Cells expressing FAAH (e.g., HEK-293 or COS-7 cells transfected with FAAH) are treated with the compound. The inhibition of FAAH activity is measured by quantifying the accumulation of anandamide or the reduction of hydrolysis products using LC-MS.
|
| Animal Protocol |
Animal models of pain (e.g., formalin test, hot plate test) or inflammation are used to assess the in vivo efficacy of FAAH-IN-1. Anandamide levels in brain and peripheral tissues are measured following compound administration to confirm target engagement.
|
| ADME/Pharmacokinetics |
Predicted to have good brain penetration due to its lipophilic nature. Oral bioavailability is expected to be moderate. The compound is likely metabolized by CYP450 enzymes. Half-life in rodents is estimated to be 2-4 hours.
|
| Toxicity/Toxicokinetics |
No specific toxicity data reported for FAAH-IN-1. FAAH inhibitors are generally well-tolerated in preclinical studies. No significant hERG inhibition or genotoxicity concerns have been reported for this class of compounds.
|
| References | |
| Additional Infomation |
FAAH-IN-1 is a research tool for studying the endocannabinoid system. It has not progressed to clinical trials. The compound's mechanism involves indirect activation of the endocannabinoid system through inhibition of anandamide degradation, leading to increased CB1 and CB2 receptor signaling.
|
| Molecular Formula |
C20H19CLN4OS
|
|---|---|
| Molecular Weight |
398.909061670303
|
| Exact Mass |
398.096
|
| CAS # |
1242441-47-9
|
| PubChem CID |
46909253
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.7
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
27
|
| Complexity |
528
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
[C@H]1(C(N(C)C)=O)C[C@@H]1C1=CC=C(C2=C(SC3=NC=C(Cl)C=C3)NC=N2)C=C1
|
| InChi Key |
JCDQNWAFZWEYBZ-CVEARBPZSA-N
|
| InChi Code |
InChI=1S/C20H19ClN4OS/c1-25(2)20(26)16-9-15(16)12-3-5-13(6-4-12)18-19(24-11-23-18)27-17-8-7-14(21)10-22-17/h3-8,10-11,15-16H,9H2,1-2H3,(H,23,24)/t15-,16+/m1/s1
|
| Chemical Name |
(1S,2S)-2-[4-[4-(5-chloropyridin-2-yl)sulfanyl-1H-imidazol-5-yl]phenyl]-N,N-dimethylcyclopropane-1-carboxamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~250.68 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.27 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5068 mL | 12.5342 mL | 25.0683 mL | |
| 5 mM | 0.5014 mL | 2.5068 mL | 5.0137 mL | |
| 10 mM | 0.2507 mL | 1.2534 mL | 2.5068 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
