| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| ln Vitro |
A-1165442 displays effective competitive antagonism (IC50=9 nM) against capsaicin-activated recombinant human TRPV1 and does not entirely block acid-evoked responses (62% block at 30 μM). A-1165442 exhibits exceptional Selectivity (>100 times)/3. A-1165442 demonstrated low cross-reactivity when assessed (10 μM) in a large screening panel of cell surface receptors, ion channels and enzymes (n=74, CEREP) [1].
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| ln Vivo |
A-1165442 has superior pharmacokinetic characteristics, good pharmacological selectivity, and encouraging efficacy against rodent osteoarthritis pain. Rats with an ED50 of 9.5 μmol/kg, or 420 ng/mL (970 nM) of capsaicin-induced nociceptive behavior are prevented from acting when A-1165442 is administered orally. With an ED50 of 35 μmol/kg determined an hour after administration, a single dose of A-1165442 produced a strong effect on grip strength. A-1165442 was more potent with repeated treatment in comparison to its acute analgesic efficacy. A-1165442 did not significantly alter the core body temperature of aware rats, and conscious dogs also maintained this temperature-neutral profile [1].
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| References |
| Molecular Formula |
C22H20CLF2N3O2
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|---|---|
| Molecular Weight |
431.862911224365
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| Exact Mass |
431.121
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| CAS # |
1221443-94-2
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| PubChem CID |
46191567
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
574.4±50.0 °C at 760 mmHg
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| Flash Point |
301.2±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.635
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| LogP |
4.36
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
609
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=CC2=C(C=CC=C2NC(=O)N[C@@H]3CC(OC4=C3C=CC(=C4)Cl)(CF)CF)C=N1
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| InChi Key |
VJJGAJAUECQWSZ-LJQANCHMSA-N
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| InChi Code |
InChI=1S/C22H20ClF2N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-24,12-25)30-20-8-15(23)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/m1/s1
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| Chemical Name |
1-[(4R)-7-chloro-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
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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) |
DMSO : ≥ 100 mg/mL (~231.56 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.79 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 (5.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3156 mL | 11.5778 mL | 23.1557 mL | |
| 5 mM | 0.4631 mL | 2.3156 mL | 4.6311 mL | |
| 10 mM | 0.2316 mL | 1.1578 mL | 2.3156 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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