| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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Purity: ≥98%
Narlaprevir (formerly also known as SCH-900518) is a novel, potent, selective, orally bioavailable and second generation inhibitor of HCV NS3 protease with Ki value of 6 nM and EC90=40 nM. Narlaprevir acts by forming a reversible covalent bond with the active-site serine. It has an overall inhibition constant (K*(i)) of 7 nM and a dissociation half-life of 1 to 2 h. SCH 900518 inhibited replicon RNA at a 90% effective concentration (EC(90)) of 40 nM.
| ln Vitro |
Ketoamides are efficiently inhibited by nallaprevir (SCH 900518), with a Ki value of 7 nM [2]. Replicon RNA is efficiently inhibited by nalaprevir (SCH 900518), with an EC90 value of 40 nM [2].
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| ln Vivo |
Narlaprevir (SCH 900518), when administered orally (rat 10 mg/kg, dog 3 mg/kg, monkey 3 mg/kg), demonstrates a moderate oral bioavailability (rat 46%, dog 29%) [1]. After intravenous dosing (four mg/kg in rats and one mg/kg in dogs), nallaprevir (SCH 900518) has an intermediate half-life (4.8 hours in rats and 2 hours in dogs) [1].
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| Animal Protocol |
Animal/Disease Models: Rats, dogs, monkeys[1]
Doses: rats PO/IV 10/4 mg/kg; dogs PO/IV 3/1 mg/kg; monkeys PO 3 mg/kg Route of Administration: intravenous (iv) (iv)(iv ) or po (oral gavage) Experimental Results: T1/2 in rats and dogs were 4.8 and 2 hrs (hrs (hours)) respectively. |
| References |
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| Additional Infomation |
Narlaprevir is an azabicyclohexane that is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane substituted by [(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]aminoacyl and N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl groups at positions 2S and 3, respectively. It is a hepatitis C virus (HCV) NS3/4A serine protease inhibitor (Ki = 6 nM) that is used for the treatment of chronic hepatitis C. It has a role as a hepatitis C protease inhibitor, an antiviral drug, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a sulfone, a member of ureas, a tertiary carboxamide, an azabicyclohexane, a pyrrolidinecarboxamide, a secondary carboxamide and a member of cyclopropanes.
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| Molecular Formula |
C36H61N5O7S
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|---|---|
| Molecular Weight |
707.96384
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| Exact Mass |
707.429
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| CAS # |
865466-24-6
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| PubChem CID |
11857239
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Index of Refraction |
1.558
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| LogP |
3.61
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
49
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| Complexity |
1400
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
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| InChi Key |
RICZEKWVNZFTNZ-LFGITCQGSA-N
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| InChi Code |
InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1
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| Chemical Name |
(1R,2S,5S)-3-(N-(((1-((tert-butylsulfonyl)methyl)cyclohexyl)amino)carbonyl)-3-methyl-l- valyl)-N-((1s)-1-((cyclopropylamino)(oxo)acetyl)pentyl)-6,6-dimethyl-3- azabicyclo(3.1.0)hexane-2-carboxamide
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| Synonyms |
SCH-900518; SCH 900518; SCH900518
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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 : ≥ 50 mg/mL (~70.63 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.53 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 (3.53 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 | 1.4125 mL | 7.0625 mL | 14.1251 mL | |
| 5 mM | 0.2825 mL | 1.4125 mL | 2.8250 mL | |
| 10 mM | 0.1413 mL | 0.7063 mL | 1.4125 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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