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ARN 11391

CAT: 0013-GTR19219795-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219795-01Size:10 mg
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Description
ARN 11391 is a small molecule that potentiates ITPR1 (IP3 receptor type 1), enhancing IP3-induced calcium release. It is a valuable research tool for studying calcium signaling pathways in cellular models, including those relevant to spinocerebellar ataxia type 29 (SCA29) .
CAS Number
1214569-31-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (C1=C2C (CCCC2) =NN1CC) NC3=C (OCC4OCCCC4) C=CC=C3
Molecular Formula
C22H29N3O3
Molecular Weight
383.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-ethyl-N-[2-(oxan-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CAS Number1214569-31-9
PubChem CID46969526
IUPAC Name2-ethyl-N-[2-(oxan-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
Molecular FormulaC22H29N3O3
Molecular Weight383.5
XLogP3.7
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity517
SMILES
CCN1C(=C2CCCCC2=N1)C(=O)NC3=CC=CC=C3OCC4CCCCO4
InChI
InChI=1S/C22H29N3O3/c1-2-25-21(17-10-3-4-11-18(17)24-25)22(26)23-19-12-5-6-13-20(19)28-15-16-9-7-8-14-27-16/h5-6,12-13,16H,2-4,7-11,14-15H2,1H3,(H,23,26)
InChIKey
WEHYVOUAIUTKKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-ethyl-N-[2-(oxan-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CAS: 1214569-31-9
CID: 46969526
Formula: C22H29N3O3
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass383.22089180
Monoisotopic Mass383.22089180
Topological Polar Surface Area65.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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