| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
S. pneumoniae[1] IC50: 25.75 nM (Plasmodium falciparum)[3] ggTas2r1, ggTas2r2 and ggTas2r7[4]
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|---|---|
| ln Vitro |
Using fluctuation analysis, the mutation rate to ethylenedimine (optochin) resistance is calculated in three capsulated S. strains of pneumoniae (S. pneumoniae R6 ATCC BAA-255, S. pneumoniae D39 NCTC 7466, and S. pneumoniae ATCC 49619). For all three strains under investigation, exposure to subinhibitory amounts of penicillin elevated the mutation rate (measured as mutation per cell division) to ethylhydrocupreine (Optochin) resistance by 2.1–3.1 fold[2].
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| ln Vivo |
Acute suppurative pleuritis on both sides is associated with suppurative pericarditis when 1 cc of a 24-hour dextrose blood broth culture of virulent Type I pneumococci is injected into the right pleural cavity of guinea pigs. One milliliter (1:500) of ethylhydrocupreine hydrochloride injections, given to each guinea pig's pleural cavity at different intervals for up to 24 hours following pleural infection, have typically demonstrated a significant curative effect. Dogs exhibit comparable outcomes [1].
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| References |
[1]. J A Kolmer, et al. CHEMOTHERAPEUTIC STUDIES WITH ETHYLHYDROCUPREINE HYDROCHLORIDE IN EXPERIMENTAL PNEUMOCOCCUS PLEURITIS. J Exp Med. 1921 May 31;33(6):693-711.
[2]. Paulo R Cortes, et al. Subinhibitory Concentrations of Penicillin Increase the Mutation Rate to Optochin Resistance in Streptococcus Pneumoniae. J Antimicrob Chemother. 2008 Nov;62(5):973-7. [3]. Nassira Mahmoudi, et al. Identification of New Antimalarial Drugs by Linear Discriminant Analysis and Topological Virtual Screening. J Antimicrob Chemother. 2006 Mar;57(3):489-97. [4]. Antonella Di Pizio, et al. Molecular Features Underlying Selectivity in Chicken Bitter Taste Receptors. Front Mol Biosci. 2018 Jan 31;5:6. |
| Additional Infomation |
Optoxin is a cinchona alkaloid composed of 10,11-dihydrocinchona alkylene with hydroxyl and ethoxy substituents at positions 9 and 6, respectively. It is an EC 3.6.3.10 (H(+)/K(+) exchange ATPase) inhibitor. It is both a cinchona alkaloid and an aromatic ether. Its function is related to cinchona alkylene.
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| Molecular Formula |
C21H28N2O2
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|---|---|
| Exact Mass |
340.215
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| CAS # |
522-60-1
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| Related CAS # |
Ethylhydrocupreine hydrochloride;3413-58-9
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| PubChem CID |
87880
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| Appearance |
White to off-white solid
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| Density |
1.18g/cm3
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| Boiling Point |
508.7ºC at 760mmHg
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| Melting Point |
123-128° when solvent-free
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| Flash Point |
261.5ºC
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| Index of Refraction |
1.618
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| LogP |
3.725
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
446
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CCOC1C=CC2=C(C([C@H]([C@@]3(C[C@]4([H])CCN3C[C@H]4CC)[H])O)=CC=N2)C=1
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| InChi Key |
SUWZHLCNFQWNPE-LATRNWQMSA-N
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| InChi Code |
InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1
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| Chemical Name |
(R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol
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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 (~293.7 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (7.34 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
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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