| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
TAK-21d targets fatty acid amide hydrolase (FAAH), the enzyme responsible for the degradation of endocannabinoids such as anandamide. By inhibiting FAAH, TAK-21d increases the levels of endocannabinoids in the brain, which can modulate pain, inflammation, anxiety, and other physiological processes. The compound is described as a potent, orally bioactive FAAH inhibitor that can cross the BBB.
|
|---|---|
| ln Vitro |
TAK-21d is a potent FAAH inhibitor. Specific IC50 values for FAAH inhibition are not extensively detailed in the provided search results. As a FAAH inhibitor, it increases endocannabinoid levels by preventing their degradation. The compound is orally bioactive and can cross the BBB.
|
| ln Vivo |
In a rat model of SNI-induced neuropathic pain, FAAH-IN-6 (Compound 21d) (1–10 mg/kg; oral) was demonstrated to dramatically alleviate tactile allodynia in a dose-dependent manner [1]. In a CFA-induced inflammatory pain model, FAAH-IN-6 (3–10 mg/kg; oral) dramatically reduces tactile allodynia in the ipsilateral hind paw [1].
TAK-21d is orally bioactive and can cross the BBB. In vivo studies have demonstrated its potential for modulating pain, inflammation, and anxiety through the endocannabinoid system. Specific animal model data and dosing regimens are not extensively detailed in the provided search results. |
| Enzyme Assay |
TAK-21d's inhibition of FAAH can be assessed using in vitro enzyme assays. Recombinant FAAH enzyme is incubated with its substrate (e.g., anandamide or a fluorogenic substrate such as arachidonoyl 7-amino-4-methylcoumarin amide) in the presence of varying concentrations of TAK-21d. The production of the hydrolysis product (arachidonic acid or the fluorescent product) is measured to determine enzyme activity and calculate the IC50.
|
| Cell Assay |
The cellular activity of TAK-21d is evaluated in cells expressing FAAH, such as neuronal cell lines or primary neurons. Cells are treated with increasing concentrations of TAK-21d, and the levels of endocannabinoids (e.g., anandamide, 2-arachidonoylglycerol) are measured by LC-MS/MS. The effect of FAAH inhibition on downstream signaling (e.g., CB1 receptor activation, ERK phosphorylation) can also be assessed.
|
| Animal Protocol |
TAK-21d is administered orally to animal models for evaluating its in vivo efficacy. In models of pain (e.g., formalin test, tail flick test), inflammation, or anxiety, TAK-21d is given at various doses via oral gavage. Endocannabinoid levels in the brain are measured to confirm target engagement. Behavioral responses are assessed to determine the compound's efficacy in modulating pain, inflammation, and anxiety.
|
| ADME/Pharmacokinetics |
TAK-21d has a molecular weight of 397.38 and molecular formula C19H17F2N7O. It is insoluble in DMSO and has a solubility of <7.95 mg/mL in 1 equivalent of HCl. Its chemical name is 4-(4-(3,4-difluorophenyl)pyrimidin-2-yl)-N-(pyridazin-3-yl)piperazine-1-carboxamide. Specific pharmacokinetic parameters are not extensively detailed.
|
| Toxicity/Toxicokinetics |
The toxicity profile of TAK-21d is not extensively documented. As a FAAH inhibitor that increases endocannabinoid levels, potential adverse effects may include those related to cannabinoid receptor activation, such as sedation, hypothermia, and gastrointestinal effects. Specific LD50 values and organ-specific toxicity data are not readily available.
|
| References | |
| Additional Infomation |
TAK-21d (CAS# 1143578-94-2) is a potent, orally bioactive, fatty acid amide hydrolase (FAAH) inhibitor that can cross the BBB. It is also known as FAAH-IN-6 (compound 21d). The compound is a research tool for studying the endocannabinoid system and its role in pain, inflammation, and anxiety.
|
| Molecular Formula |
C19H17F2N7O
|
|---|---|
| Molecular Weight |
397.38
|
| Exact Mass |
397.146
|
| CAS # |
1143578-94-2
|
| PubChem CID |
57749996
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Index of Refraction |
1.645
|
| LogP |
1.43
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
29
|
| Complexity |
549
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CN(CCN1C2=NC=CC(=N2)C3=CC(=C(C=C3)F)F)C(=O)NC4=NN=CC=C4
|
| InChi Key |
JCWVFSJNIBAGQN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C19H17F2N7O/c20-14-4-3-13(12-15(14)21)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
|
| Chemical Name |
4-[4-(3,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
|
| Synonyms |
TAK21d; TAK 21d; TAK-21d
|
| 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) |
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
|
|---|---|
| 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 | 2.5165 mL | 12.5824 mL | 25.1648 mL | |
| 5 mM | 0.5033 mL | 2.5165 mL | 5.0330 mL | |
| 10 mM | 0.2516 mL | 1.2582 mL | 2.5165 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
