2-Flurbiprofen - CAS 51543-40-9
Catalog: |
BB027488 |
Product Name: |
2-Flurbiprofen |
CAS: |
51543-40-9 |
Synonyms: |
(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid |
Application: |
(R)-2-Flurbiprofen is the R-isomer of Flurbiprofen (F598700), an anti-inflammatory used as an analgesic. |
IUPAC Name: | (2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid |
Description: | Flurizan, also called Tarenflurbil, is a nonsteroidal anti-inflammatory drug which inhibits γ-secretase activity leading to preventing the formation of the amyloid β peptide (Aβ42) from amyloid β precursor protein (APP). |
Molecular Weight: | 244.26 |
Molecular Formula: | C15H13FO2 |
Canonical SMILES: | CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O |
InChI: | InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1 |
InChI Key: | SYTBZMRGLBWNTM-SNVBAGLBSA-N |
Boiling Point: | 162.4 °C at 760 mmHg |
Melting Point: | 110-113 °C |
Purity: | > 95 % |
Density: | 1.555 g/cm3 |
Solubility: | Soluble to 49 mM at 25°C in DMSO, to 49 mM at 25°C in ethanol, to <1 mM at 25°C in water, to ~25 mM in DMF, and to ~0.9 mM in PBS (pH 7.2). |
Appearance: | White solid |
Storage: | Store in a cool and dry place and at 0 - 4 °C for short term (days to weeks) or -31 °C for long term (months to years). |
LogP: | 3.68080 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111662898-A | New lipase immobilization technology and method for applying same to enantiomer resolution | 20200630 |
RU-2744571-C1 | Dipharmacophoric compounds of nootropic-analgesic action and method for their preparation | 20200410 |
WO-2021205001-A1 | Peptides and uses thereof | 20200410 |
WO-2021191837-A1 | 1,3-dihydro-2h-pyrrolo[3,4-c]pyridine derivatives as gabaa α5 receptor modulators | 20200326 |
WO-2021191838-A1 | NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA α5 RECEPTOR MODULATORS | 20200326 |
PMID | Publication Date | Title | Journal |
23075731 | 20121001 | Flurbiprofen axetil promotes neuroprotection by activation of cerebral peroxisome proliferator-activated receptor gamma after focal cerebral ischemia in rats | Chinese medical journal |
22873567 | 20120906 | Excited-state interactions in diastereomeric flurbiprofen-thymine dyads | The journal of physical chemistry. A |
22382665 | 20120801 | Flurbiprofen axetil provides a prophylactic benefit against mesenteric traction syndrome associated with remifentanil infusion during laparotomy | Journal of anesthesia |
22725648 | 20120801 | Non-steroidal anti-inflammatory drugs reduce the stress response during sevoflurane anesthesia | Acta anaesthesiologica Scandinavica |
22411450 | 20120601 | An examination of the thermodynamics of fusion, vaporization, and sublimation of (R,S)- and (R)-flurbiprofen by correlation gas chromatography | Journal of pharmaceutical sciences |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.08995782 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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