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K-833

CAT: 0013-GTR19264600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264600-01Size:10 mg
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Description
K-833 is a GPR119 agonist with EC50 values of 39.8 nM, 100 nM, 75.4 nM, and 12.6 nM for human, mouse, rat, and dog respectively. In acute intestinal peptide secretion in mice, K-833 modestly increases the secretion of glucagon-like peptide-1 (GLP-1) and, when used in combination with AM-5262, can synergistically enhance GLP-1 levels. K-833 is applicable in weight loss research.
CAS Number
2639936-77-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CC1=C (F) C=C (OCCCC2CCN (CC2) C=3N=CC (Cl) =CN3) C=C1) (=O) N4CC (CNC[C@@H] ([C@H] ([C@@H] ([C@@H] (CO) O) O) O) O) C4
Molecular Formula
C30H43ClFN5O7
Molecular Weight
640.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-fluorophenyl]-1-[3-[[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]azetidin-1-yl]ethanone
CAS Number2639936-77-7
PubChem CID156250063
IUPAC Name2-[4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-fluorophenyl]-1-[3-[[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]azetidin-1-yl]ethanone
Molecular FormulaC30H43ClFN5O7
Molecular Weight640.1
XLogP0.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity849
SMILES
C1CN(CCC1CCCOC2=CC(=C(C=C2)CC(=O)N3CC(C3)CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)F)C4=NC=C(C=N4)Cl
InChI
InChI=1S/C30H43ClFN5O7/c31-22-13-34-30(35-14-22)36-7-5-19(6-8-36)2-1-9-44-23-4-3-21(24(32)11-23)10-27(41)37-16-20(17-37)12-33-15-25(39)28(42)29(43)26(40)18-38/h3-4,11,13-14,19-20,25-26,28-29,33,38-40,42-43H,1-2,5-10,12,15-18H2/t25-,26+,28+,29+/m0/s1
InChIKey
BLAYPYLLMUPZIX-WNOSTQBWSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]propoxy]-2-fluorophenyl]-1-[3-[[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]azetidin-1-yl]ethanone
CAS: 2639936-77-7
CID: 156250063
Formula: C30H43ClFN5O7
MW: 640.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.1
XLogP30.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass639.2835046
Monoisotopic Mass639.2835046
Topological Polar Surface Area172 Ų
Heavy Atom Count44
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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