(+)-Blebbistatin

Basic Information

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CAS Number

1177356-70-5

Molecular Formula

C18H16N2O2

Molecular Weight

292.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1=CC2=C(C=C1)N=C3C(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

LogP

2.862720000000001

Topological Polar Surface Area

52.900000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

497

Synonyms & References

English

(R)-(+)-Blebbistatin
(+)-Blebbistatin
(3aR)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
J-003661
TS-07867
CHEMBL1315589
Tocris-1760
SCHEMBL15919292
Q27145266
(R)-3A-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1H-pyrrolo[2,3-b]quinolin-4(2H)-one
AKOS024456818
(R)-blebbistatin
CHEBI:75387
NCGC00025281-01
CS-0029060
DTXSID10424990
(3aR)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
XWG1958E8I
4H-Pyrrolo(2,3-b)quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-, (3aR)-
Blebbistatin, (+)-
1177356-70-5
UNII-XWG1958E8I
HY-107657
NCGC00381715-01

MDL Number

MFCD08460906

FAQ

What are the physical and chemical properties of (+)-Blebbistatin (CAS: 1177356-70-5)?

The physical and chemical properties of (+)-Blebbistatin include a white crystalline form, a molecular weight of approximately 341.3 g/mol, and good solubility in organic solvents like DMSO. It is less soluble in water. (+)-Blebbistatin is relatively stable under normal storage conditions but can be reactive with strong acids or bases. It is known for its ability to inhibit myosin light chain kinase, which makes it useful in research applications.

How is (+)-Blebbistatin (CAS: 1177356-70-5) typically synthesized?

(+)-Blebbistatin is typically synthesized through a complex total synthesis involving multiple steps. The key steps include asymmetric synthesis using chiral pool chemistry and a series of purification steps. The overall yield is moderate, and the process requires careful control of reaction conditions to ensure high enantiomeric excess (ee).

What industries use (+)-Blebbistatin (CAS: 1177356-70-5)?

(+)-Blebbistatin is primarily used in the pharmaceutical and research industries. It is a key tool in studying muscle contraction and cell motility. It is also used in polymer science for the investigation of molecular interactions and in the development of new materials. Additionally, it has applications in sensor technology and semiconductors for its ability to modulate cellular responses.

What precautions should be taken when handling (+)-Blebbistatin (CAS: 1177356-70-5)?

Handling (+)-Blebbistatin requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate materials and procedures. Always consult a safety data sheet (SDS) for detailed handling and safety information. Storage should be at room temperature away from direct sunlight and in a secure, labeled container.