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IXA4

CAT: 0804-HY-139214-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139214-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IXA4 is a highly selective, non-toxic IRE1/XBP1s activator. IXA4 activates IRE1/XBP1s signaling without globally activating the unfolded protein response (UPR) or other stress-responsive signaling pathways (e.g., the heat shock response or oxidative stress response) . IXA4 reduces secretion of APP through IRE1 activation[1].
CAS Number
1185329-96-7
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
IRE1
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ixa4.html
Purity
98.83
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N(C)CCOC1=CC=C(C)C=C1)CN2N=CC(NC(CCOC3=CC=CC=C3)=O)=C2
Molecular Formula
C24H28N4O4
Molecular Weight
436.50
Precautions
H315, H319, H335
References & Citations
[1]Grandjean JMD, et al. Pharmacologic IRE1/XBP1s activation confers targeted ER proteostasis reprogramming. Nat Chem Biol. 2020;16 (10) :1052-1061.
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-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CAS Number1185329-96-7
PubChem CID26357859
IUPAC NameN-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
Molecular FormulaC24H28N4O4
Molecular Weight436.5
XLogP2.7
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity576
SMILES
CC1=CC=C(C=C1)OCCN(C)C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3
InChI
InChI=1S/C24H28N4O4/c1-19-8-10-22(11-9-19)32-15-13-27(2)24(30)18-28-17-20(16-25-28)26-23(29)12-14-31-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,26,29)
InChIKey
ZVSKMVAWWBSNOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CAS: 1185329-96-7
CID: 26357859
Formula: C24H28N4O4
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass436.21105539
Monoisotopic Mass436.21105539
Topological Polar Surface Area85.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity576
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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