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KIRA6

CAT: 1410-M22059-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M22059-01Size:2 mg
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Description
KIRA6 is an effective inhibitor of IRE1α RNase kinase (IC50: 0.6 µM) . It can trigger an apoptotic response.KIRA6 (10-1000 nM, 72 hours) strongly compromises the viability of the KIT-dependent cell line HMC-1.1 at the low nM concentration, in a manner that coincided with KIT blockade.
CAS Number
1589527-65-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
518.53
Molecular Formula
C28H25F3N6O
Notes
Research use only, not for human use.
Receptor
IRE1α

Chemical Information

Kira6

inhibitor of IRE1 tyrosine kinase

CAS Number1589527-65-0
PubChem CID73425700
IUPAC Name1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
Molecular FormulaC28H25F3N6O
Molecular Weight518.5
XLogP6.5
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity834
SMILES
CC(C)(C)C1=NC(=C2N1C=CN=C2N)C3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C28H25F3N6O/c1-27(2,3)25-36-22(23-24(32)33-13-14-37(23)25)20-11-12-21(19-10-5-4-9-18(19)20)35-26(38)34-17-8-6-7-16(15-17)28(29,30)31/h4-15H,1-3H3,(H2,32,33)(H2,34,35,38)
InChIKey
NOHQEAFAESMMDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kira6
CAS: 1589527-65-0
CID: 73425700
Formula: C28H25F3N6O
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass518.20419393
Monoisotopic Mass518.20419393
Topological Polar Surface Area97.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity834
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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