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(R)-(+)-Blebbistatin - ≥99%(HPLC), high purity , CAS No.1177356-70-5

COA

Grade & Purity:

≥99%(HPLC)

Cas Number: 1177356-70-5
Molecular Weight: 292.34
PubChem CID: 6604910

In stock

Item Number

R287278

Grouped product items
SKU	Size	Availability	Price
R287278-5mg	5mg	2	$212.90
R287278-10mg	10mg	2	$327.90
R287278-25mg	25mg	2	$735.90
R287278-50mg	50mg	2	$1,326.90
R287278-100mg	100mg	2	$2,157.90

Selective inhibitor of myosin II ATPase activity. Inactive enantiomer of(±)-blebbistatin

Basic Description

Synonyms	(3aR)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one \| Blebbistatin, (+)- \| CHEBI:75387 \| (R)-3A-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1H-pyrrolo[2,3-b]quinolin-4(2H)-one \| Q27145266 \| J-003661 \| UNII-XWG1958E8I \| NCGC00025281-01 \|
Specifications & Purity	≥99%(HPLC)
Biochemical and Physiological Mechanisms	Inactive enantiomer of the selective inhibitor of myosin II (±)-blebbistatin.Active EnantiomerandRacematealso available. Cell permeable: no Primary Target Inactive enantiomer of (±)-Blebbistatin Product does not compete with ATP. Reversible: no
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Pyrroloquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Pyrroloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroloquinolines
Alternative Parents	Phenylpyrrolidines Aminoquinolines and derivatives Aryl alkyl ketones Aniline and substituted anilines Imidolactams Tertiary alcohols Pyrroles Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrroloquinoline - Aminoquinoline - 1-phenylpyrrolidine - Aryl ketone - Aniline or substituted anilines - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Imidolactam - Pyrrole - Pyrrolidine - Tertiary alcohol - Ketone - Amidine - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
External Descriptors	blebbistatin
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3aR)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
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
Smiles	CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O
Isomeric SMILES	CC1=CC2=C(C=C1)N=C3[C@@](C2=O)(CCN3C4=CC=CC=C4)O
Molecular Weight	292.34
Reaxy-Rn	10016269
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10016269&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2506223	Certificate of Analysis	Nov 16, 2022	R287278
C2308054	Certificate of Analysis	Nov 16, 2022	R287278
C2308055	Certificate of Analysis	Nov 16, 2022	R287278
C2308053	Certificate of Analysis	Nov 16, 2022	R287278
C2308052	Certificate of Analysis	Nov 16, 2022	R287278
C2308056	Certificate of Analysis	Nov 16, 2022	R287278

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 29.23, Max Conc. mM: 100
Sensitivity	light sensitive
Molecular Weight	292.300 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	292.121 Da
Monoisotopic Mass	292.121 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	497.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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