| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Neurokinin B TFA targets neurokinin receptors, with preference for the NK-3 receptor (NK3R). It also binds to NK1R and NK2R. These receptors are GPCRs involved in the regulation of numerous physiological processes, including pain transmission, smooth muscle contraction, and neuroendocrine function. By activating these receptors, neurokinin B modulates neuronal excitability and neurotransmitter release.
|
|---|---|
| ln Vitro |
In vitro, neurokinin B TFA binds to NK1R, NK2R, and NK3R to mediate their biological effects. It shows preference for the NK-3 receptor. The compound's activity can be characterized using receptor binding assays and functional assays measuring calcium mobilization or second messenger production. Its potency and selectivity at different receptor subtypes can be determined.
|
| ln Vivo |
In vivo, neurokinin B is involved in the regulation of various physiological processes, including the hypothalamic-pituitary-gonadal axis, pain perception, and gastrointestinal motility. The TFA salt form is used in research to study the role of neurokinin B and its receptors in these processes. Detailed in vivo studies have been performed using neurokinin B in animal models.
|
| Enzyme Assay |
For in vitro receptor binding assays, neurokinin B TFA is evaluated for its ability to bind to NK1R, NK2R, and NK3R. Radiolabeled neurokinin B (e.g., ¹²⁵I-neurokinin B) is incubated with membrane preparations containing the receptors and varying concentrations of unlabeled neurokinin B TFA. Bound and free ligand are separated by filtration. Binding affinity (Ki) is calculated from competition binding curves.
|
| Cell Assay |
For in vitro cell-based assays, neurokinin B TFA is tested on cells expressing NK1R, NK2R, or NK3R. Cells are treated with the compound at various concentrations (typically 0.1 nM-10 µM). Receptor activation is measured by calcium mobilization using fluorescent calcium indicators, or by cAMP accumulation using ELISA or FRET-based assays. EC₅₀ values are determined from dose-response curves.
|
| Animal Protocol |
For in vivo animal experiments, neurokinin B TFA is typically administered intracerebroventricularly, intravenously, or subcutaneously to rodents. The compound is given at doses ranging from 0.01-10 mg/kg. Endpoints depend on the biological process being studied and may include pain behavior, hormone levels, or gastrointestinal motility. The compound's effects are evaluated using appropriate behavioral, biochemical, or physiological assays.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for neurokinin B TFA are limited. As a peptide with a molecular weight of 1438.47 g/mol and formula C₅₅H₇₉N₁₃O₁₄S₂·2C₂HF₃O₂, it is expected to have poor oral bioavailability and a short half-life due to rapid proteolytic degradation. The compound is typically administered via injection. The TFA salt form enhances solubility but does not significantly alter pharmacokinetics.
|
| Toxicity/Toxicokinetics |
Toxicological data for neurokinin B TFA are limited. As a peptide, it is generally considered to have low toxicity at pharmacological doses. However, comprehensive toxicological studies have not been extensively reported. The compound is classified as a research-grade reagent and is not for human therapeutic use. Standard laboratory safety practices should be followed when handling.
|
| References | |
| Additional Infomation |
Neurokinin B TFA is a research-use only compound and has not been approved for clinical applications. It is also known as neurokinin B trifluoroacetate salt. Its molecular weight is 1438.47, and its formula is C₅₅H₇₉N₁₃O₁₄S₂·2C₂HF₃O₂. The compound is used in research on neurokinin receptors and their role in pain, neuroendocrine function, and other physiological processes. It is available from various research chemical suppliers.
|
| Molecular Formula |
C57H80F3N13O16S2
|
|---|---|
| Molecular Weight |
1324.44782161713
|
| Exact Mass |
1437.516
|
| CAS # |
101536-55-4
|
| Related CAS # |
Neurokinin B;86933-75-7
|
| PubChem CID |
170907786
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
16
|
| Hydrogen Bond Acceptor Count |
28
|
| Rotatable Bond Count |
38
|
| Heavy Atom Count |
98
|
| Complexity |
2300
|
| Defined Atom Stereocenter Count |
9
|
| SMILES |
C(F)(F)(F)C(=O)O.[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)CC1N=CNC=1)(C(=O)N[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N)CCSC)CC1C=CC=CC=1)CC1C=CC=CC=1
|
| InChi Key |
DNRDWNMILBSVKQ-LZFAISSQSA-N
|
| InChi Code |
InChI=1S/C55H79N13O14S2.2C2HF3O2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71;2*3-2(4,5)1(6)7/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73);2*(H,6,7)/t35-,36-,37-,38-,39-,40-,41-,42-,46-;;/m0../s1
|
| Chemical Name |
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
|
| 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 0.7550 mL | 3.7752 mL | 7.5503 mL | |
| 5 mM | 0.1510 mL | 0.7550 mL | 1.5101 mL | |
| 10 mM | 0.0755 mL | 0.3775 mL | 0.7550 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
