Size | Price | Stock | Qty |
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5mg |
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10mg |
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Other Sizes |
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Purity: ≥98%
BI-224436, an investigational new drug under development for the treatment of HIV infection, is the first non-catalytic site integrase inhibitor (NCINI) with EC50 values of less than 15 nM against different HIV-1 laboratory strains.. It inhibits HIV replication via binding to a conserved allosteric pocket of the HIV integrase enzyme. This makes the drug distinct in mechanism of action compared to raltegravir and elvitegravir, which bind at the catalytic site.
ln Vitro |
BI 224436 has cytotoxicity more than 90 μM. BI 224436 lost 2.1 times its antiviral efficacy when 50% human serum was present. When it comes to recombinant viruses that encode the INSTI-resistant mutations N155S, Q148H, and E92Q, BI 224436 maintains its complete antiviral efficacy. In combination with the majority of licensed antiretroviral medications, including INSTIs, BI 224436 has synergistic effects. In vitro absorption, distribution, metabolism, and excretion (ADME) characteristics of BI 224436 are similar to those of drugs, and these qualities include low cytochrome P450 inhibition, solubility, and Caco-2 cell permeability [1].
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ln Vivo |
BI 224436 in dogs (CL, 8%; F, 81%), monkeys (CL, 23%; F, 82%), and rats (percent clearance from hepatic flow [CL], 0.7%; bioavailability [F], 54%) [1].
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References |
[1]. Fenwick C, et al. Preclinical profile of BI 224436, a novel HIV-1 non-catalytic-site integrase inhibitor. Antimicrob Agents Chemother. 2014 Jun;58(6):3233-44
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Molecular Formula |
C27H26N2O4
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Molecular Weight |
442.506
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CAS # |
1155419-89-8
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Related CAS # |
1155419-89-8;
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SMILES |
O=C(O)[C@H](C1=C(C2=CC(CCCO3)=C3C=C2)C4=CC=CC=C4N=C1)OC(C)(C)C
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InChi Key |
DMWVBLFYARRIDL-QFIPXVFZSA-N
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InChi Code |
InChI=1S/C24H25NO4/c1-24(2,3)29-22(23(26)27)18-14-25-19-9-5-4-8-17(19)21(18)16-10-11-20-15(13-16)7-6-12-28-20/h4-5,8-11,13-14,22H,6-7,12H2,1-3H3,(H,26,27)/t22-/m0/s1
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Chemical Name |
(2S)-[4-(3,4-Dihydro-2H-chromen-6-yl)-3-quinolinyl][(2-methyl-2-propanyl)oxy]acetic acid
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Synonyms |
BI-224436; BI 224436; BI224436.
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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: This product is not stable in solution, please use freshly prepared working solution for optimal results. |
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 : ≥ 50 mg/mL (~112.99 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.65 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 (5.65 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 (5.65 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 | 2.2598 mL | 11.2992 mL | 22.5984 mL | |
5 mM | 0.4520 mL | 2.2598 mL | 4.5197 mL | |
10 mM | 0.2260 mL | 1.1299 mL | 2.2598 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.