| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
|
| ln Vitro |
Etamicastat inhibits the amplitude of hERG current wth an IC50 value of 44 μg/mL (141 μM)[2].
|
|---|---|
| ln Vivo |
Intraperitoneally administered etamicastat (100 mg/kg) significantly lowers cardiac norepinephrine levels while concurrently raising dopamine levels [1]. Male Wistar rats given etamicastat (50 mg/kg; single oral dose) show moderate oral bioavailability (64%) and terminal elimination half-life (T1/2=3.7 h) [1].
|
| Animal Protocol |
Animal/Disease Models: NMRi mice [1]
Doses: 100 mg/kg Route of Administration: intraperitonealadministration Experimental Results: Caused a significant decrease in cardiac norepinephrine levels (36% of control), while increasing dopamine levels (850% of control) %). Animal/Disease Models: Male Wistar rat[1] Doses: 50 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: Oral administration at a dose of 10 mL/kg Experimental Results: Oral bioavailability (64%), Cmax (4.9 nM) and (T1/2=3.7 hrs (hrs (hours))). |
| References |
|
| Additional Infomation |
See also: Etamicastat (annotation moved to).
|
| Molecular Formula |
C14H16CLF2N3OS
|
|---|---|
| Molecular Weight |
347.8088
|
| Exact Mass |
347.067
|
| CAS # |
677773-32-9
|
| Related CAS # |
Etamicastat;760173-05-5
|
| PubChem CID |
10450386
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
4.003
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
22
|
| Complexity |
448
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C1[C@H](COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCN.Cl
|
| InChi Key |
CKRDOSZCFINPAD-RFVHGSKJSA-N
|
| InChi Code |
InChI=1S/C14H15F2N3OS.ClH/c15-9-3-8-4-11(7-20-13(8)12(16)5-9)19-10(1-2-17)6-18-14(19)21;/h3,5-6,11H,1-2,4,7,17H2,(H,18,21);1H/t11-;/m1./s1
|
| Chemical Name |
4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione;hydrochloride
|
| Synonyms |
BIA5-453 BIA-5-453BIA 5-453 Etamicastat
|
| 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 (e.g. under nitrogen), 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) |
DMSO : ~100 mg/mL (~287.51 mM)
H2O : ~16.67 mg/mL (~47.93 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.19 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 (7.19 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 (7.19 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 | 2.8751 mL | 14.3757 mL | 28.7513 mL | |
| 5 mM | 0.5750 mL | 2.8751 mL | 5.7503 mL | |
| 10 mM | 0.2875 mL | 1.4376 mL | 2.8751 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
