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A1899

CAT: 0804-HY-103067-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103067-04Size:50 mg
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Description
A1899 is a potent and highly selective blocker of the K2P channel TASK-1. A1899 has IC50 values of 35.1 nM and 7 nM for TASK-1 channels expressed in oocytes and CHO cells, respectively. A1899 is also an IKur blocker that can be used for the research of cardiovascular diseases[1][2].
CAS Number
498577-46-1
Product Name Alternative
S20951
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/a1899.html
Purity
99.72
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NCC1=CC=C(C=C1F)F)C2=CC=CC=C2C3=CC=CC=C3CNC(CC4=CC=C(C=C4)OC)=O
Molecular Formula
C30H26F2N2O3
Molecular Weight
500.54
Precautions
H302, H315, H319
References & Citations
[1]Streit AK, et al. A specific two-pore domain potassium channel blocker defines the structure of the TASK-1 open pore. J Biol Chem. 2011 Apr 22;286 (16) :13977-84. |[2]Knobloch K, et al. Electrophysiological and antiarrhythmic effects of the novel I (Kur) channel blockers, S9947 and S20951, on left vs. right pig atrium in vivo in comparison with the I (Kr) blockers dofetilide, azimilide, d, l-sotalol and ibutilide. Naunyn Schmiedebergs Arch Pharmacol. 2002 Nov;366 (5) :482-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(2,4-difluorobenzyl)-2'-((2-(4-methoxyphenyl)acetamido)methyl)-[1,1'-biphenyl]-2-carboxamide
CAS Number498577-46-1
PubChem CID9827303
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
Molecular FormulaC30H26F2N2O3
Molecular Weight500.5
XLogP5.2
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity730
SMILES
COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C30H26F2N2O3/c1-37-24-14-10-20(11-15-24)16-29(35)33-18-21-6-2-3-7-25(21)26-8-4-5-9-27(26)30(36)34-19-22-12-13-23(31)17-28(22)32/h2-15,17H,16,18-19H2,1H3,(H,33,35)(H,34,36)
InChIKey
IXKPEYHRIVQTCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-difluorobenzyl)-2'-((2-(4-methoxyphenyl)acetamido)methyl)-[1,1'-biphenyl]-2-carboxamide
CAS: 498577-46-1
CID: 9827303
Formula: C30H26F2N2O3
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass500.19114902
Monoisotopic Mass500.19114902
Topological Polar Surface Area67.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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