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SB-649701

CAT: 0013-GTR19218772-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218772-01Size:25 mg
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Description
SB-649701 is a potent and selective CCR8 receptor antagonist with a pIC50 of 7.7. It is a valuable research tool for investigating CCR8-mediated pathways in asthma, supporting both in vitro binding assays and in vivo models of allergic airway inflammation.
CAS Number
935262-95-6
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
O (C) C1=CC=2C (=CC=NC2C=C1) [C@@H]3CN (C (=O) O3) C4CCN (CC5=CC=6C (N5) =CC=CC6) CC4
Molecular Formula
C27H28N4O3
Molecular Weight
456.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
CAS Number935262-95-6
PubChem CID16112836
IUPAC Name(5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular FormulaC27H28N4O3
Molecular Weight456.5
XLogP3.9
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity714
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]3CN(C(=O)O3)C4CCN(CC4)CC5=CC6=CC=CC=C6N5
InChI
InChI=1S/C27H28N4O3/c1-33-21-6-7-25-23(15-21)22(8-11-28-25)26-17-31(27(32)34-26)20-9-12-30(13-10-20)16-19-14-18-4-2-3-5-24(18)29-19/h2-8,11,14-15,20,26,29H,9-10,12-13,16-17H2,1H3/t26-/m0/s1
InChIKey
CUWYXEKZVGDQDJ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of (5R)-3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
CAS: 935262-95-6
CID: 16112836
Formula: C27H28N4O3
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass456.21614077
Monoisotopic Mass456.21614077
Topological Polar Surface Area70.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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