2-Flurbiprofen - CAS 51543-40-9

Name: 2-Flurbiprofen
Brand: BOC Sciences
Rating: 5 (1 reviews)

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.

Technical Data

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 Î±5 receptor modulators	20200326
WO-2021191838-A1	NAPHTHYRIDINE AND PYRIDO[3,4-c]PYRIDAZINE DERIVATIVES AS GABAA Î±5 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