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Simeprevir - 98%, high purity , CAS No.923604-59-5
Basic Description Synonyms AS-56205 | GTPL7367 | CHEBI:134743 | (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclo Specifications & Purity Moligand™, ≥98% Biochemical and Physiological Mechanisms TMC-435350 (TMC 435350; TMC 435; TMC-435350) is an inhibitor of NS3/4A protease, which plays an important role in HCV replication. Data from phase I and II clinical trials of TMC-435350 (TMC 435350; TMC 435; TMC-435350) to date have shown
Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name (1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide INCHI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1 InChi Key JTZZSQYMACOLNN-VDWJNHBNSA-N Canonical SMILES CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC Isomeric SMILES CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC PubChem CID 24873435 Molecular Weight 749.96
Chemical and Physical Properties Solubility Soluble in DMSO and Ethanol, insoluble in water
Safety and Hazards(GHS) Pictogram(s) GHS09 , GHS07 Signal Warning Hazard Statements H319: Causes serious eye irritation
H302: Harmful if swallowed
H410: Very toxic to aquatic life with long lasting effects
H362: May cause harm to breast-fed children
Precautionary Statements P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P273: Avoid release to the environment.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P260: Do not breathe dust/fume/gas/mist/vapors/spray.
P270: Do not eat, drink or smoke when using this product.
P391: Collect spillage.
P330: Rinse mouth.
P263: Avoid contact during pregnancy/while nursing.
P203: Obtain, read and follow all safety instructions before use.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P301+P317: IF SWALLOWED: Get medical help.
P318: if exposed or concerned, get medical advice.
P337+P317: If eye irritation persists: Get medical help.
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H2215018