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Purity: ≥98%
SB-616234A is a novel, potent, selective and orally bioavailable 5-HT1B receptor antagonist, with anxiolytic and antidepressant activity. SB-616234-A possesses high affinity for human 5-HT1B receptors stably expressed in Chinese hamster ovary (CHO) cells (pKi 8.3+/-0.2), and is over 100-fold selective for a range of molecular targets except h5-HT1) receptors (pKi 6.6+/-0.1). Similarly, affinity (pKi) for rat and guinea pig striatal 5-HT1B receptors is 9.2+/-0.1. In [35S]-GTPgammaS binding studies in the human recombinant cell line, SB-616234-A acted as a high affinity antagonist with a pA2 value of 8.6+/-0.2 whilst providing no evidence of agonist activity in this system. In [35S]-GTPgammaS binding studies in rat striatal membranes, SB-616234-A acted as a high affinity antagonist with an apparent pKB of 8.4+/-0.5, again whilst providing no evidence of agonist activity in this system. SB-616234-A (1 microM) potentiated electrically stimulated [3H]-5-HT release from guinea pig and rat cortical slices (S2/S1) ratios of 1.8 and 1.6, respectively). SB-616234-A (0.3-30 mg kg(-1) p.o.) caused a dose-dependent inhibition of ex vivo [3H]-GR125743 binding to rat striatal 5-HT1B receptors with an ED50 of 2.83+/-0.39 mg kg(-1) p.o. Taken together these data suggest that SB-616234-A is a potent and selective 5-HT(1B) autoreceptor antagonist that occupies central 5-HT1B receptors in vivo following oral administration.
| ln Vitro |
In addition to the h5-HT1D receptor, which is more than 100 times more selective (pKi 6.6 ± 0.1), SB-616234-A exhibits high affinity (pKi 8.3 ± 0.2) for the human 5-HT1B receptor, which is persistently expressed in Chinese hamster ovary (CHO) cells and a variety of molecular targets. Rat and guinea pig striatal 5-HT1B receptors have an affinity (pKi) of 9.2 ± 0.1. SB-616234-A demonstrated no indication of agonist action in [35S]-GTPγS binding experiments conducted on human recombinant cell lines, but rather functioned as a high-affinity antagonist with a pA2 value of 8.6 ± 0.2. SB-616234-A had a high-affinity antagonistic effect with an apparent pKB of 8.4 ± 0.5 in [35S]-GTPγS binding tests conducted in rat striatal membranes. However, no evidence of agonist action was found in this system. Electrically driven [3H]-5-HT release in guinea pig and rat cortical slices (S2/S1 ratios 1.8 and 1.6, respectively) is improved by SB-616234-A (1 μM) [2].
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| ln Vivo |
SB-616234-A has an oral ED50 of 2.4 mg/kg and reverses hypothermia in guinea pigs caused by the 5-HT1/7 receptor agonist SKF-99101H in a dose-related manner. In rats and guinea pigs, the ED50 of vocalization models triggered by maternal separation is 1.0 and 3.3 mg/kg ip, respectively [1]. With an ED50 of 2.83 ± 0.39 mg/kg po, SB-616234-A (0.3-30 mg/kg po) inhibits ex vivo [3H]-GR125743 binding to rat striatal 5-HT1B receptors in a dose-dependent manner[1].
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| References |
[1]. Lee A.Dawson, et al. Characterisation of the selective 5-HT1B receptor antagonist SB-616234-A (1-[6-(cis-3,5-dimethylpiperazin-1-yl)-2,3-dihydro-5-methoxyindol-1-yl]-1-[2′-methyl-4′-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methanone hydrochloride): In
[2]. Scott C, et al. SB-616234-A (1-[6-(cis-3,5-dimethylpiperazin-1-yl)-2,3-dihydro-5-methoxyindol-1-yl]-1-[2'methyl-4'-(5-methyl-1,2,3-oxadiazol-3-yl)biphenyl-4-yl]methanone hydrochloride): a novel, potent and selective 5-HT1B receptor antagonist. Neuropharma |
| Molecular Formula |
C32H36CLN5O3
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|---|---|
| Molecular Weight |
574.1129
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| Exact Mass |
573.25
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| CAS # |
908601-49-0
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| PubChem CID |
11685613
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
41
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| Complexity |
858
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C(C1C=CC(C2C=CC(C3N=C(C)ON=3)=CC=2C)=CC=1)(N1CCC2=CC(=C(N3C[C@H](C)N[C@H](C)C3)C=C12)OC)=O.Cl
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| InChi Key |
VPWVEPYFVFBHQR-XKFLBXONSA-N
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| InChi Code |
InChI=1S/C32H35N5O3.ClH/c1-19-14-26(31-34-22(4)40-35-31)10-11-27(19)23-6-8-24(9-7-23)32(38)37-13-12-25-15-30(39-5)29(16-28(25)37)36-17-20(2)33-21(3)18-36;/h6-11,14-16,20-21,33H,12-13,17-18H2,1-5H3;1H/t20-,21+;
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| Chemical Name |
[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindol-1-yl]-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methanone;hydrochloride
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| Synonyms |
SB-616234A; SB 616234A; SB-616234-A; SB 616234 A
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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 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)
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| Solubility (In Vitro) |
DMSO : ~10 mg/mL (~17.42 mM)
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| 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 | 1.7418 mL | 8.7091 mL | 17.4183 mL | |
| 5 mM | 0.3484 mL | 1.7418 mL | 3.4837 mL | |
| 10 mM | 0.1742 mL | 0.8709 mL | 1.7418 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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