MK-571 sodium salt

CAT: 0862-GL9206-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0862-GL9206-5mgSize:5 mg

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CAS Number

115103-85-0

HS Code

29334990

Purity

97.00%

Molecular Formula

C26H26ClN2O3S2 · Na

Molecular Weight

537.1

Storage Conditions

-20°C

Hazardous Class

Not hazardous

Chemical Information

MK-571 sodium

MK-571 is an organic molecular entity. It has a role as an inhibitor.

CAS Number	115103-85-0
PubChem CID	16760569
IUPAC Name	sodium 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate
Molecular Formula	C26H26ClN2NaO3S2
Molecular Weight	537.1
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	35
Formal Charge	0
Complexity	700

SMILES

CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)[O-].[Na+]

InChI

InChI=1S/C26H27ClN2O3S2.Na/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);/q;+1/p-1/b10-6+;

InChIKey

XNAYQOBPAXEYLI-AAGWESIMSA-M

Chemical Structure

2D Structure

CAS: 115103-85-0

CID: 16760569

Formula: C26H26ClN2NaO3S2

MW: 537.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	537.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	536.0971070
Monoisotopic Mass	536.0971070
Topological Polar Surface Area	124 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	700
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
T22351-01	MK-571 sodium salt
BML-RA109-0025	MK-571 . sodium salt
A15983-25	MK-571 sodium salt 25mg
A15983-10	MK-571 sodium salt 10mg
sc-218859	MK-571-d6 Sodium Salt
B8031-10	MK-571 sodium salt hydrate
A15983-50	MK-571 sodium salt 50mg
A15983-5	MK-571 sodium salt 5mg
A15983-100	MK-571 sodium salt 100mg
A15983-10mM-D	MK-571 sodium salt 10mM * 1mL in DMSO

MK-571 sodium salt

Chemical Information

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