ChemicalBook--->CAS DataBase List--->1185329-96-7

1185329-96-7

1185329-96-7 Structure

1185329-96-7 Structure
IdentificationBack Directory
[Name]

1H-Pyrazole-1-acetamide, N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(1-oxo-3-phenoxypropyl)amino]-
[CAS]

1185329-96-7
[Synonyms]

IXA4
N-[1-({methyl[2-(4-methylphenoxy)ethyl]carbamoy l}methyl)-1H-pyrazol-4-yl]-3-phenoxypropanamide
1H-Pyrazole-1-acetamide, N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(1-oxo-3-phenoxypropyl)amino]-
endoplasmic reticulum (ER) proteostasis,UPR,protein secretion,Inhibitor,Inositol requiring enzyme 1,IXA4,IXA-4,IRE1,unfolded protein response,IXA 4,inhibit
[Molecular Formula]

C24H28N4O4
[MDL Number]

MFCD13023943
[MOL File]

1185329-96-7.mol
[Molecular Weight]

436.5
Chemical PropertiesBack Directory
[Boiling point ]

695.2±55.0 °C(Predicted)
[density ]

1.18±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (229.10 mM; Need ultrasonic)
[form ]

A solid
[pka]

13.84±0.70(Predicted)
[color ]

White to off-white
[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
[SMILES]

O=C(CN1N=CC(NC(CCOC2=CC=CC=C2)=O)=C1)N(C)CCOC3=CC=C(C=C3)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

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].
[Biological Activity]

IXA4 is a nontoxicpotent and highly selective IRE1-XBP1s signaling activator th at induce ER proteostasis remodeling. IXA4 reduced Aβ levels and prevents APP-associated mitochondrial dysfunction in CHO7PA2 cells expressing the V717F APP (APPV717F) mutant.
[References]

[1] Grandjean JMD, et al. Pharmacologic IRE1/XBP1s activation confers targeted ER proteostasis reprogramming. Nat Chem Biol. 2020;16(10):1052-1061. DOI:10.1038/s41589-020-0584-z
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Pyrazole-1-acetamide, N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(1-oxo-3-phenoxypropyl)amino]-(1185329-96-7)1HNMR
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