L-706000 free base

CAT: 0931-T88518-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T88518-01Size:25 mg

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CAS Number

161799-18-4

Target

Potassium Channel

Related Pathways

Membrane transporter/Ion channel

Bioactivity

L-706000 (MK 499) free base is an effective hERG channel blocker, with an IC50 of 32 nM. It is classified as a Class III antiarrhythmic agent and is utilized in researching malignant ventricular tachycardia.

Smiles

O[C@@H]1CC2(OC=3C1=CC(NS(C)(=O)=O)=CC3)CCN(CC2)[C@H]4CC=5C(CC4)=CC(C#N)=CC5

Molecular Formula

C25H29N3O4S

Molecular Weight

467.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

MK 499

CAS Number	161799-18-4
PubChem CID	9934294
IUPAC Name	N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide
Molecular Formula	C25H29N3O4S
Molecular Weight	467.6
XLogP	2.7
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	857

SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)OC3(CCN(CC3)[C@@H]4CCC5=C(C4)C=CC(=C5)C#N)C[C@H]2O

InChI

InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1

InChIKey

NIYGLRKUBPNXQS-FYYLOGMGSA-N

Chemical Structure

2D Structure

CAS: 161799-18-4

CID: 9934294

Formula: C25H29N3O4S

MW: 467.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.6
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	467.18787759
Monoisotopic Mass	467.18787759
Topological Polar Surface Area	111 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	857
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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L-706000 free base

Chemical Information

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