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MK 571

CAT: 0931-T7841-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T7841-05Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115104-28-4
Target
Leukotriene Receptor, P-gp, LTR, LPL Receptor
Related Pathways
Immunology/Inflammation, Membrane transporter/Ion channel, Neuroscience, GPCR/G Protein
Purity
0.9965
Bioactivity
MK 571 (L660711) is an orally active antagonist of CysLT1 receptor.
Smiles
C(=C/C1=CC(C(SCCC(N(C)C)=O)SCCC(O)=O)=CC=C1)\C2=NC3=C(C=C2)C=CC(Cl)=C3
Molecular Formula
C26H27ClN2O3S2
Molecular Weight
515.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(((3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propanoic acid

MK 571 is a member of quinolines.

CAS Number115104-28-4
PubChem CID5281888
IUPAC Name3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Molecular FormulaC26H27ClN2O3S2
Molecular Weight515.1
XLogP5.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity693
SMILES
CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O
InChI
InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
InChIKey
AXUZQJFHDNNPFG-UXBLZVDNSA-N
Chemical Structure
2D Structure
2D structure of 3-(((3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propanoic acid
CAS: 115104-28-4
CID: 5281888
Formula: C26H27ClN2O3S2
MW: 515.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.1
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass514.1151628
Monoisotopic Mass514.1151628
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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