Products for Research Use Only

KIRA-7

CAT: 0013-GTR19203706-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203706-02Size:50 mg
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Description
KIRA-7 is an imidazopyrazine small molecule that acts as an allosteric inhibitor of IRE1α RNase activity by binding its kinase domain (IC50: 110 nM) . It exhibits anti-fibrotic properties and is utilized in research exploring endoplasmic reticulum stress in models of fibrotic disease, both in vitro and in vivo.
CAS Number
1937235-76-1
Field of Research
Cell Biology
Smiles
CC1 (CC1) c1nc (-c2ccc (NC (=O) Nc3cccc (F) c3) c3ccccc23) c2c (N) nccn12
Molecular Formula
C27H23FN6O
Molecular Weight
466.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 121596794
CAS Number1937235-76-1
PubChem CID121596794
IUPAC Name1-[4-[8-amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-fluorophenyl)urea
Molecular FormulaC27H23FN6O
Molecular Weight466.5
XLogP5.1
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity779
SMILES
CC1(CC1)C2=NC(=C3N2C=CN=C3N)C4=CC=C(C5=CC=CC=C54)NC(=O)NC6=CC(=CC=C6)F
InChI
InChI=1S/C27H23FN6O/c1-27(11-12-27)25-33-22(23-24(29)30-13-14-34(23)25)20-9-10-21(19-8-3-2-7-18(19)20)32-26(35)31-17-6-4-5-16(28)15-17/h2-10,13-15H,11-12H2,1H3,(H2,29,30)(H2,31,32,35)
InChIKey
BMEJPYIGRYVVEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 121596794
CAS: 1937235-76-1
CID: 121596794
Formula: C27H23FN6O
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass466.19173754
Monoisotopic Mass466.19173754
Topological Polar Surface Area97.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity779
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