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JB062

CAT: 0931-T67952-08Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T67952-08Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2417988-00-0
Target
Myosin
Related Pathways
Cytoskeletal Signaling
Purity
0.9989
Bioactivity
JB062 is a chemical compound acting as a nonmuscle myosin inhibitor, exhibiting IC50 values of 1.6, 5.4, and >100 μM against skeletal muscle myosin, cardiac muscle myosin, and smooth muscle myosin II, respectively. It selectively exhibits cytotoxicity towards human cancer cells without affecting normal cells. The compound is applicable in research fields concerning muscle spasticity, chronic musculoskeletal pain, and hypertrophic cardiomyopathy.
Smiles
OC=1C=2C(OC(=O)C1C(=NCC3=CC=C(OC)C=C3)C)=CC=CC2
Molecular Formula
C19H17NO4
Molecular Weight
323.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Hydroxy-3-(1-((4-methoxybenzyl)imino)ethyl)-2H-chromen-2-one
CAS Number2417988-00-0
PubChem CID146020961
IUPAC Name4-hydroxy-3-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]chromen-2-one
Molecular FormulaC19H17NO4
Molecular Weight323.3
XLogP2.9
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity531
SMILES
CC(=NCC1=CC=C(C=C1)OC)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H17NO4/c1-12(20-11-13-7-9-14(23-2)10-8-13)17-18(21)15-5-3-4-6-16(15)24-19(17)22/h3-10,21H,11H2,1-2H3
InChIKey
VNZQIXKYYHQDBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-(1-((4-methoxybenzyl)imino)ethyl)-2H-chromen-2-one
CAS: 2417988-00-0
CID: 146020961
Formula: C19H17NO4
MW: 323.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass323.11575802
Monoisotopic Mass323.11575802
Topological Polar Surface Area68.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity531
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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