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(-) -Blebbistatin

CAT: 0804-HY-13441-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13441-01Size:5 mg
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Description
(-) -Blebbistatin is a selective inhibitor of the ATPase activity of non-muscle myosin II[1][2].
CAS Number
856925-71-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Myosin
Type
Reference compound
Related Pathways
Cytoskeleton
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/_-_-Blebbistatin.html
Purity
99.42
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
CC1=CC=C(N=C(N(C2=CC=CC=C2)CC3)[C@]3(O)C4=O)C4=C1
Molecular Formula
C18H16N2O2
Molecular Weight
292.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Cristina Lucas‐Lopez, et al. Absolute Stereochemical Assignment and Fluorescence Tuning of the Small Molecule Tool, (–) ‐Blebbistatin.|[2]Ponsaerts R, et al. The myosin II ATPase inhibitor blebbistatin prevents thrombin-induced inhibition of intercellularcalcium wave propagation in corneal endothelial cells. Invest Ophthalmol Vis Sci. 2008 Nov;49 (11) :4816-27.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-blebbistatin

(S)-blebbistatin is the (S)-enantiomer of blebbistatin. It is a tertiary alpha-hydroxy ketone and a blebbistatin.

CAS Number856925-71-8
PubChem CID5287792
IUPAC Name(3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Molecular FormulaC18H16N2O2
Molecular Weight292.3
XLogP2.4
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity497
SMILES
CC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)O
InChI
InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1
InChIKey
LZAXPYOBKSJSEX-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of (S)-blebbistatin
CAS: 856925-71-8
CID: 5287792
Formula: C18H16N2O2
MW: 292.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight292.3
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass292.121177757
Monoisotopic Mass292.121177757
Topological Polar Surface Area52.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes