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ABT-239

CAT: 0931-T14087-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14087-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
460746-46-7
Target
TRP/TRPV Channel, Histamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Immunology/Inflammation, Membrane transporter/Ion channel
Purity
>99.99%
Bioactivity
ABT-239 is a novel, highly efficacious non-imidazole class histamine H3 receptor (H3R) antagonist and also acts as a transient receptor potential vanilloid type 1 (TRPV1) antagonist.
Smiles
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Molecular Formula
C22H22N2O
Molecular Weight
330.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-
CAS Number460746-46-7
PubChem CID9818903
IUPAC Name4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
Molecular FormulaC22H22N2O
Molecular Weight330.4
XLogP4.9
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
InChIKey
KFHYZKCRXNRKRC-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-
CAS: 460746-46-7
CID: 9818903
Formula: C22H22N2O
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass330.173213330
Monoisotopic Mass330.173213330
Topological Polar Surface Area40.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA5429-10ABT-239
A14093-500ABT-239 500mg
A14093-10ABT-239 10mg
A14093-100ABT-239 100mg
A14093-25ABT-239 25mg
A14093-1ABT-239 1mg
KTA74871-01Abt 239 tartrate
A14093-50ABT-239 50mg
A14093-5ABT-239 5mg
A14093-10mM-DABT-239 10mM * 1mL in DMSO

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