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SML3549

KIRA9

≥98% (HPLC)

Synonym(s):

(S)-3,3,3-trifluoro-N-(4-((3-(2-(piperidin-3-ylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)naphthalen-1-yl)propane-1-sulfonamide

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About This Item

Empirical Formula (Hill Notation):
C27H27F3N6O3S
Molecular Weight:
572.60
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=S(NC(C=C1)=C2C(C=CC=C2)=C1OC3=NC=CC=C3C4=CC=NC(N[C@@H]5CNCCC5)=N4)(CCC(F)(F)F)=O

InChI

1S/C27H27F3N6O3S/c28-27(29,30)12-16-40(37,38)36-23-9-10-24(20-7-2-1-6-19(20)23)39-25-21(8-4-14-32-25)22-11-15-33-26(35-22)34-18-5-3-13-31-17-18/h1-2,4,6-11,14-15,18,31,36H,3,5,12-13,16-17H2,(H,33,34,35)/t18-/m0/s1

InChI key

HLEZGQAFDDCWDE-SFHVURJKSA-N

Biochem/physiol Actions

Cell penetrant, potent and selective ATP-competitive antagonist of both the kinase and RNase activities of IRE1α
KIRA9 is a cell penetrant, potent and selective ATP-competitive antagonist of both the kinase and RNase activities of IRE1α (endoplasmic reticulum to nucleus signaling 1). KIRA9 suppresses destructive ER mRNA endonucleolytic decay and apoptosis.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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