MK571

CAT: 0957-S8126-05Size: 1 gDry Ice: YesHazardous: No

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CAT#:0957-S8126-05Size:1 g

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Description

MK571 is a selective, orally active CysLT1 receptor (Cysteinyl leukotriene receptor) antagonist.

CAS Number

115104-28-4

Synonyms

L-660711

Target

LTR

Activity

GPCR & G Protein

Molecular Formula

C26H27ClN2O3S2

Storage Conditions

2 years -80 in solvent

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 Number	115104-28-4
PubChem CID	5281888
IUPAC Name	3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
Molecular Formula	C26H27ClN2O3S2
Molecular Weight	515.1
XLogP	5.3
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	34
Formal Charge	0
Complexity	693

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

CAS: 115104-28-4

CID: 5281888

Formula: C26H27ClN2O3S2

MW: 515.1

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	515.1
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	514.1151628
Monoisotopic Mass	514.1151628
Topological Polar Surface Area	121 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
C13201-10mM/1mL	MK571

MK571

Chemical Information

Alternative Products

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