(-)-Blebbistatin - ≥98% , CAS No.856925-71-8

CAS: 856925-71-8 Cat. No.: B129580 분자식: C₁₈H₁₆N₂O₂ 분자량: 292.33 EC 번호: 689-630-0 PubChem CID: 5287792

등급 & 순도 ≥98%

Synonyms

8WII7624I5 | (-)Blebbistatin | (S)-blebbistatin | (S)-3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1H-pyrrolo[2,3-b]quinolin-4(2H)-one | (S)-(-)-Blebbistatin | Blebbistatin (S)-form [MI] | 1-Phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2.3-b]-7-methylquinolin-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

(-)-Blebbistatin is an S enantiomer of blebbistatin. Blebbistatin is a potent and selective myosin II inhibitor with IC50s ranging from 0.5 to 5 μM.

사양

동의어

8WII7624I5 | (-)Blebbistatin | (S)-blebbistatin | (S)-3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1H-pyrrolo[2,3-b]quinolin-4(2H)-one | (S)-(-)-Blebbistatin | Blebbistatin (S)-form [MI] | 1-Phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo[2.3-b]-7-methylquinolin-

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Selective inhibitor of myosin II ATPase activity (IC50~0.5 - 5μM); active enantiomer of (±)-blebbistatin. Inhibits contraction of the cleavage furrow without disrupting mitosis or contractile ring assembly. Rapidly and reversibly blocks cell blebbing, and

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

504763508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763508

정식 스마일

Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4

IUPAC Name

(3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

InChIKey

LZAXPYOBKSJSEX-GOSISDBHSA-N

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

이성체 SMILES

CC1=CC2=C(C=C1)N=C3[C@](C2=O)(CCN3C4=CC=CC=C4)O

WGK 독일

3

PubChem CID

5287792

분자량

292.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Pyrroloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

Data sources

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

관련 대상(인간)

BXPC-3 (2997 Activities)

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DU-145 (51482 Activities)

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PANC-1 (6144 Activities)

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U-87 MG (3946 Activities)

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MIA PaCa-2 (5949 Activities)

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LNCaP (8286 Activities)

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HeLa (62764 Activities)

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MDA-MB-231 (73002 Activities)

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Capan-2 (270 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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MYH2 Tbio Myosin-2 (5 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

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Dictyostelium discoideum (81 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Danio rerio (3092 Activities)

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FTL Ferritin light chain (43324 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 29.23, Max Conc. mM: 100
• 감도: Light sensitive
• 분자량: 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 Ų
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 856925-71-8, the molecular formula is C18H16N2O2, and the molecular weight is 292.33 g/mol. InChIKey LZAXPYOBKSJSEX-GOSISDBHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.