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RR-49

CAT: 0013-GTR19242055-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242055-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RR-49 is a novel difluorinated analog exhibiting remarkable pH-dependent potency. It shows a 19-fold increase in potency at pH 6.5 versus pH 7.4 in MOR cAMP inhibition assays, making it a promising candidate for in vitro and in vivo research into targeted analgesics for inflammatory pain conditions.
CAS Number
2376328-79-7
Smiles
O=C (N (C=1C=CC=CC1) C2CCN (CC2) CC (F) C=3C=CC=CC3F) CC
Molecular Formula
C22H26F2N2O
Molecular Weight
372.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-(2-fluoro-2-(2-fluorophenyl)ethyl)piperidin-4-yl)-N-phenylpropanamide
CAS Number2376328-79-7
PubChem CID146167150
IUPAC NameN-[1-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Molecular FormulaC22H26F2N2O
Molecular Weight372.5
XLogP4.3
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity461
SMILES
CCC(=O)N(C1CCN(CC1)CC(C2=CC=CC=C2F)F)C3=CC=CC=C3
InChI
InChI=1S/C22H26F2N2O/c1-2-22(27)26(17-8-4-3-5-9-17)18-12-14-25(15-13-18)16-21(24)19-10-6-7-11-20(19)23/h3-11,18,21H,2,12-16H2,1H3
InChIKey
HVODMMOXSRCMCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(2-fluoro-2-(2-fluorophenyl)ethyl)piperidin-4-yl)-N-phenylpropanamide
CAS: 2376328-79-7
CID: 146167150
Formula: C22H26F2N2O
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass372.20131978
Monoisotopic Mass372.20131978
Topological Polar Surface Area23.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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