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KR-39038

CAT: 0931-T64266-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64266-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2770300-35-9
Target
Others, GRK, HDAC
Related Pathways
Chromatin/Epigenetic, Others, DNA Damage/DNA Repair, GPCR/G Protein
Bioactivity
KR-39038 is an orally active GRK5 (G protein-coupled receptor kinase 5) inhibitor (IC50: 0.02 μM) that inhibits the HDAC5 pathway in neonatal cardiomyocytes and significantly reduces angiotensin II-induced hypertrophy, leading to notable anti-myocardial hypertrophy effects and improved cardiac function. KR-39038 is applicable for heart failure research.
Smiles
O=C1N=C(NC2=CC(NCCCNCCCCNCCCN)=C(F)C=C12)C=3C=CC=CC3Cl
Molecular Formula
C24H32ClFN6O
Molecular Weight
475
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 163404364
CAS Number2770300-35-9
PubChem CID163404364
IUPAC Name7-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-(2-chlorophenyl)-6-fluoro-3H-quinazolin-4-one
Molecular FormulaC24H32ClFN6O
Molecular Weight475.0
XLogP3.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
C1=CC=C(C(=C1)C2=NC3=CC(=C(C=C3C(=O)N2)F)NCCCNCCCCNCCCN)Cl
InChI
InChI=1S/C24H32ClFN6O/c25-19-8-2-1-7-17(19)23-31-21-16-22(20(26)15-18(21)24(33)32-23)30-14-6-13-29-11-4-3-10-28-12-5-9-27/h1-2,7-8,15-16,28-30H,3-6,9-14,27H2,(H,31,32,33)
InChIKey
UEAYNKFJXGVWBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 163404364
CAS: 2770300-35-9
CID: 163404364
Formula: C24H32ClFN6O
MW: 475.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.0
XLogP33.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass474.2310155
Monoisotopic Mass474.2310155
Topological Polar Surface Area104 Ų
Heavy Atom Count33
Formal Charge0
Complexity624
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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