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MK-8666

CAT: 0013-GTR19210135-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210135-01Size:25 mg
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Description
MK-8666 is a partial agonist of the G-protein-coupled receptor GPR40 (FFAR1), which mediates fatty acid-stimulated insulin secretion. It has been investigated in preclinical in vivo and in vitro studies for type 2 diabetes research, demonstrating robust glucose-lowering effects.
CAS Number
1544739-76-5
Field of Research
Metabolism Research
Smiles
C (O) (=O) [C@H]1[C@]2 ([C@@]1 (CC=3C2=CN=C (OCC4=CC (=CC=C4) C5=C (C) C=C (OCCCS (C) (=O) =O) C=C5C) C3) [H]) [H]
Molecular Formula
C29H31NO6S
Molecular Weight
521.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3R,4S)-8-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CAS Number1544739-76-5
PubChem CID89962741
IUPAC Name(2R,3R,4S)-8-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
Molecular FormulaC29H31NO6S
Molecular Weight521.6
XLogP4.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity893
SMILES
CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=NC=C4[C@@H]5[C@@H]([C@H]5C(=O)O)CC4=C3)C)OCCCS(=O)(=O)C
InChI
InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m0/s1
InChIKey
CODQKEMYZZKQAE-MXSCXNJPSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S)-8-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CAS: 1544739-76-5
CID: 89962741
Formula: C29H31NO6S
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass521.18720888
Monoisotopic Mass521.18720888
Topological Polar Surface Area111 Ų
Heavy Atom Count37
Formal Charge0
Complexity893
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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