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(+) -Blebbistatin

CAT: 0931-T12503-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12503-07Size:100 mg
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CAS Number
1177356-70-5
Target
Others, Myosin
Related Pathways
Cytoskeletal Signaling, Others
Purity
0.9988
Bioactivity
(+) -Blebbistatin is the inactive enantiomer of (–) -Blebbistatin. (–) -Blebbistatin is a selective myosin II ATPase inhibitor.
Smiles
O[C@@]12C(N(CC1)C3=CC=CC=C3)=NC=4C(C2=O)=CC(C)=CC4
Molecular Formula
C18H16N2O2
Molecular Weight
292.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Blebbistatin

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

CAS Number1177356-70-5
PubChem CID6604910
IUPAC Name(3aR)-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-/m0/s1
InChIKey
LZAXPYOBKSJSEX-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (+)-Blebbistatin
CAS: 1177356-70-5
CID: 6604910
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