Products for Research Use Only
RegisterLogin

RO5527239

CAT: 0013-GTR19198607-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19198607-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
RO5527239 is a potent and orally bioavailable agonist of the GPBAR1 (TGR5) receptor. This small molecule research tool is used in vitro and in vivo to study metabolic diseases, inflammation, and liver function.
CAS Number
1354812-99-9
Field of Research
Pharmacology & Drug Discovery
Smiles
[C@H] (C/C (=N\O) /C=1C=C (C) N=CC1) (C2=C (C) C=CC=C2) C3=CC=C (C=C3) N4CCC (C (O) =O) CC4
Molecular Formula
C28H31N3O3
Molecular Weight
457.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidine-4-carboxylic acid
CAS Number1354812-99-9
PubChem CID136167004
IUPAC Name1-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidine-4-carboxylic acid
Molecular FormulaC28H31N3O3
Molecular Weight457.6
XLogP5
Topological Polar Surface Area86
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity682
SMILES
CC1=CC=CC=C1[C@H](C/C(=N\O)/C2=CC(=NC=C2)C)C3=CC=C(C=C3)N4CCC(CC4)C(=O)O
InChI
InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26,34H,12-13,15-16,18H2,1-2H3,(H,32,33)/b30-27+/t26-/m1/s1
InChIKey
FYRQRNSTHCHLNF-XWGMSIGLSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]piperidine-4-carboxylic acid
CAS: 1354812-99-9
CID: 136167004
Formula: C28H31N3O3
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass457.23654186
Monoisotopic Mass457.23654186
Topological Polar Surface Area86 Ų
Heavy Atom Count34
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T26108-01RO5527239

Popular Products