MK6

(5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid


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Chemical Component Summary

Name(5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid
Identifiers(2~{S},3~{S},4~{R})-8-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.0^{2,4}]deca-1(10),6,8-triene-3-carboxylic acid
FormulaC29 H31 N O6 S
Molecular Weight521.625
TypeNON-POLYMER
Isomeric SMILESCc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C
InChIInChI=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+/m1/s1
InChIKeyCODQKEMYZZKQAE-QPVYNBJUSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count3
Bond Count72
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB14937 
NameMK-8666
Groups investigational
DescriptionMK-8666 is under investigation in clinical trial NCT01971554 (Safety, Tolerability, Pharmacodynamics, and Pharmacokinetics of MK-8666 in Participants With Type 2 Diabetes Mellitus (MK-8666-003)).
SynonymsMK-8666
CAS number1544739-75-4

Related Resource References

Resource NameReference
Pharos CHEMBL4297471
PubChem 73051869
ChEMBL CHEMBL4297471