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Kira6

CAT: 1568-C13567-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C13567-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1589527-65-0
Target
IRE1
Applications
ER stress & UPR
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
Molecular Formula
C28H25F3N6O
Additionnal Information
Kira6 is a potent type II IRE1α kinase inhibitor with an IC50 of 0.6 μM. It dose-dependently inhibits IRE1α (WT) kinase activity, XBP1 RNA cleavage, Ins2 RNA cleavage and oligomerization.
Storage Conditions
2 years -80 in solvent

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...
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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