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MK 571

CAT: 1410-M21561-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M21561-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK 571 is an orally active antagonist of CysLT1 receptor .
CAS Number
115104-28-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
515.09
Molecular Formula
C26H26ClN2NaO3S2
Notes
Research use only, not for human use.
Receptor
CysLTR1

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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