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IXA62

CAT: 0013-GTR19258347-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258347-01Size:50 mg
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Description
IXA62 is an orally active, selective IRE1/XBP1s agonist (EC50= 0.31 μM) that can reduce Aβ secretion.
CAS Number
956783-34-9
Field of Research
Cell Biology, Neuroscience
Smiles
O=C1NC (C (=O) N1CC (=O) C=2C=3C=CC=CC3N (C2C=4C=CC=CC4) C) (C) C5CC5
Molecular Formula
C24H23N3O3
Molecular Weight
401.458
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-cyclopropyl-5-methyl-3-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CAS Number956783-34-9
PubChem CID4781365
IUPAC Name5-cyclopropyl-5-methyl-3-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
Molecular FormulaC24H23N3O3
Molecular Weight401.5
XLogP3.3
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity729
SMILES
CC1(C(=O)N(C(=O)N1)CC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4)C5CC5
InChI
InChI=1S/C24H23N3O3/c1-24(16-12-13-16)22(29)27(23(30)25-24)14-19(28)20-17-10-6-7-11-18(17)26(2)21(20)15-8-4-3-5-9-15/h3-11,16H,12-14H2,1-2H3,(H,25,30)
InChIKey
TUVMLZMPSJOPGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-cyclopropyl-5-methyl-3-[2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CAS: 956783-34-9
CID: 4781365
Formula: C24H23N3O3
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass401.17394160
Monoisotopic Mass401.17394160
Topological Polar Surface Area71.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity729
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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