Oseltamivir acid - CAS 187227-45-8
Catalog number:
187227-45-8
Category:
Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C14H24N2O4
Molecular Weight:
284.35
COA:
Inquire
Targets:
Influenza Virus
Description:
Oseltamivir acid is the active metabolite of oseltamivir. Oseltamivir, also called as GS 4071 or Ro 64-0802, is an antiviral drug that competitively inhibits neuraminidase A and B (IC50 = 0.1 to 4.9 nM).
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Purity:
≥98%
Appearance:
White Solid
Synonyms:
(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid Oseltamivir acid Oseltamivir carboxylate 187227-45-8 Oseltamivir (acid) (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid (3R,4R,5S)-5-amino-4-ace
Solubility:
Soluble to ≥ 56 mg/mL in H2O
Storage:
Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -64℃ for long term (months to years).
MSDS:
Inquire
Application:
A metabolite of Oseltamivir.
Shelf Life:
2 years
Boiling Point:
508.7±50.0 °C | Condition: Press: 760 Torr
Melting Point:
185-187 °C
Density:
1.15 g/cm3
InChIKey:
NENPYTRHICXVCS-YNEHKIRRSA-N
InChI:
1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
Canonical SMILES:
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O
1.Enhanced production of shikimic acid using a multi-gene co-expression system in Escherichia coli.
Liu XL1, Lin J2, Hu HF1, Zhou B1, Zhu BQ3. Chin J Nat Med. 2016 Apr;14(4):286-93. doi: 10.1016/S1875-5364(16)30029-2.
Shikimic acid (SA) is the key synthetic material for the chemical synthesis of Oseltamivir, which is prescribed as the front-line treatment for serious cases of influenza. Multi-gene expression vector can be used for expressing the plurality of the genes in one plasmid, so it is widely applied to increase the yield of metabolites. In the present study, on the basis of a shikimate kinase genetic defect strain Escherichia coli BL21 (ΔaroL/aroK, DE3), the key enzyme genes aroG, aroB, tktA and aroE of SA pathway were co-expressed and compared systematically by constructing a series of multi-gene expression vectors. The results showed that different gene co-expression combinations (two, three or four genes) or gene orders had different effects on the production of SA. SA production of the recombinant BL21-GBAE reached to 886.38 mg·L(-1), which was 17-fold (P < 0.05) of the parent strain BL21 (ΔaroL/aroK, DE3).
2.In silico screening of molecular imprinting prepolymerization systems: oseltamivir selective polymers through full-system molecular dynamics-based studies.
Shoravi S1, Olsson GD1, Karlsson BC1, Bexborn F1, Abghoui Y1, Hussain J1, Wiklander JG1, Nicholls IA2. Org Biomol Chem. 2016 Apr 4. [Epub ahead of print]
All-component molecular dynamics studies were used to probe a library of oseltamivir molecularly imprinted polymer prepolymerization mixtures. Polymers included one of five functional monomers (acrylamide, hydroxyethylmethacrylate, methacrylic acid, 2-(triflouromethyl)acrylic acid, 4-vinylpyridine) and one of three porogens (acetonitrile, chloroform, methanol) combined with the crosslinking agent ethylene glycol dimethacrylate and initiator 2,2'-azobis(2-methylpropionitrile). Polymers were characterized by nitrogen gas sorption measurements and SEM, and affinity studies performed using radioligand binding in various media. In agreement with the predictions made from the simulations, polymers prepared in acetonitrile using either methacrylic or trifluoromethacrylic acid demonstrated the highest affinities for oseltamivir. Further, the ensemble of interactions observed in the methanol system provided an explanation for the morphology of polymers prepared in this solvent.
3.[EFFECTIVENESS OF FULLERENE-(TRIS-AMINOCAPRONIC ACID) HYDRATE IN THE MODEL OF EXPERIMENTAL VIRAL-BACTERIAL PNEUMONIA OF MICE].
Falynskova IN, Leonova EI, Fedyakina IT, Makhmudova NR, Lepekha LN, Mikhailova NA, Rasnetsov LD, Zverev VV, Leneva IA. Zh Mikrobiol Epidemiol Immunobiol. 2015 Sep-Oct;(5):32-9.
AIM: Study the effectiveness of the substance and various drug formulations of fullerene-(tris-aminocapronic acid) hydrate (FTAAH onwards) in the model of experimental viral-bacterial pneumonia of mice.
4.Novel binding patterns between ganoderic acids and neuraminidase: Insights from docking, molecular dynamics and MM/PBSA studies.
Yang Z1, Wu F2, Yuan X3, Zhang L4, Zhang S5. J Mol Graph Model. 2016 Apr;65:27-34. doi: 10.1016/j.jmgm.2016.02.006. Epub 2016 Feb 15.
Recently, ganoderic acids (GAs) give rise to the attractive candidates of novel neuraminidase (NA) inhibitors. However, there is still no evident conclusion about their binding patterns. To this end, docking, molecular dynamics and MM/PBSA methods were combined to study the binding profiles of GAs with the N1 protein and familiar H274Y and N294S mutations (A/Vietnam/1203/04 stain). It was found that the binding affinities of ganoderic acid DM and Z (ΔGbind, -16.83 and -10.99kcalmol(-1)) are comparable to that of current commercial drug oseltamivir (-23.62kcalmol(-1)). Electrostatic interaction is the main driving force, and should be one important factor to evaluate the binding quality and rational design of NA inhibitors. The 150-loop residues Asp151 and Arg152 played an important role in the binding processes. Further analysis revealed that ganoderic acid DM is a potential source of anti-influenza ingredient, with novel binding pattern and advantage over oseltamivir.
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CAS 187227-45-8 Oseltamivir acid

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Oseltamivir acid is the active metabolite of oseltamivir. Oseltamivir, also called as GS 4071 or Ro 64-0802, is an antiviral drug that competitively inhibits ne...

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CAS 187227-45-8 Oseltamivir acid

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