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Purity: ≥98%
INX 08189 (BMS-986094; INX-08189), a phosphoramidate (ProTide) prodrug of 6-O-methyl-2'-C-methyl guanosine, is a novel and potent RNA-directed RNA polymerase (NS5B) inhibitor with the potential to be used for the treatment of HCV infection. It inhibits hepatitis C virus (HCV) replication, with an EC50 of 35 nM at 24 h in Huh-7 cells.
| ln Vitro |
After 72 hours of exposure, BMS-986094 (INX-08189) has an EC50 of 10 nM against genotype 1b, 12 nM against genotype 1a, and an EC50 against genotype 2a, indicating that it is a highly strong inhibitor of HCV replication. 0.9 nanometers. In Huh-7 cells that have been grown, 7.01 μM is the concentration that results in 50% cytotoxicity (CC50) [1]. The luciferase activity in genotype 1b replicon cells is decreased in a concentration-dependent manner by BMS-986094 (5-80 nM; 14 days) [1]. For three days, BMS-986094 (20 μM) decreased the relative number of mitochondrial copies by 11% in CEM cells. Mitochondrial copy number in CEM cells is unaffected by BMS-986094 (1 μM; 14 days). In HepG2 cells, BMS-986094 does not change the relative amount of mitochondrial copy number [1]. In human hepatocytes (HH) and human cardiomyocytes (HCM), MS-986094 (10 µM; 24 hours) did not significantly raise the concentration of BMS-986094 or its metabolites, although INX-09114's intracellular concentration rose steadily at 7 After a year, it usually stabilizes. Incubate for one hour in HCM [3].
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| ln Vivo |
After oral administration, BMS-986094 (3-300 mg/kg; po) is converted to 2'-C-Me-GTP, and the amount of 2'-C-MeG in plasma is proportionate to the amount of 2'-C-MeGTP produced in the liver [1]. In cynomolgus monkeys, oral administration of BMS-986094 (25 mg/kg) results in an effective extraction from the portal circulation via the liver [1]. Cynomolgus monkeys were given 15 or 30 mg/kg/d; po for three weeks; this was done using BMS-986094. The primary plasma analyte was the nucleoside metabolite M2, and the most drug-related species in the kidney and heart was INX-09114 [3].
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| Animal Protocol |
Animal/Disease Models: Male SD (SD (Sprague-Dawley)) rat[1]
Doses: 3, 5, 10, 25 mg/kg Route of Administration: Single oral administration Experimental Results: 2′-C-MeGTP concentration at dose ≥5 mg/kg The liver exceeded the EC90 soon after administration and remained at or above this level for 72 hrs (hrs (hours)). |
| References |
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| Additional Infomation |
INX-08189 has been used in trials studying the treatment of Hepatitis C, HCV (Genotype 1), and Hepatitis C Virus.
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| Molecular Formula |
C30H39N6O9P
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|---|---|
| Molecular Weight |
658.639
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| Exact Mass |
658.252
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| CAS # |
1234490-83-5
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| PubChem CID |
46700744
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| Appearance |
White to off-white solid powder
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| Density |
1.47
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| LogP |
3.671
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
14
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
46
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| Complexity |
1100
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3OC)N)(C)O)O)OC4=CC=CC5=CC=CC=C54
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| InChi Key |
YFXGICNMLCGLHJ-RSKRLRQZSA-N
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| InChi Code |
InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1
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| Chemical Name |
neopentyl
((((2R,3R,4R,5R)-5-(2-amino-6-methoxy-9H-purin-9-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(naphthalen-1-yloxy)phosphoryl)-L-alaninate
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| Synonyms |
INX189 BMS986094 INX08189 INX 189 BMS-986094INX 08189INX-189 INX-08189 BMS 986094
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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 : ~250 mg/mL (~379.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.16 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.16 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 20.8 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 | 1.5183 mL | 7.5914 mL | 15.1828 mL | |
| 5 mM | 0.3037 mL | 1.5183 mL | 3.0366 mL | |
| 10 mM | 0.1518 mL | 0.7591 mL | 1.5183 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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