LCS 1 - ≥98% , CAS No.41931-13-9

CAS: 41931-13-9 Cat. No.: L341838 Formula: C₁₁H₈Cl₂N₂O Peso molecolare: 255.1

GRADE & PURITY ≥98%

Synonyms

FT-0712302 | SR-01000206484-1 | 4,5-dichloro-2-m-tolylpyridazin-3(2H)-one | 4,5-Dichloro-2-(m-tolyl)pyridazin-3(2H)-one | 4,5-Dichloro-2-(3-methylphenyl) pyridazin-3(2H)-one | DTXSID30354705 | 4,5-dichloro-2-(3-methylphenyl)-3(2H)-pyridazinone | HMS2821H0

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

LCS 1 is an inhibitor of SOD1 (superoxide dismutase 1), an enzyme that catalyzes the conversion of superoxide ion (O|2|-) into H|2|O|2|and O|2|to maintain low levels of reactive oxygen species. LCS 1 has been shown to inhibit the proliferation of lung adenocarcinoma cell lines.

Specifications

Sinonimi

FT-0712302 | SR-01000206484-1 | 4,5-dichloro-2-m-tolylpyridazin-3(2H)-one | 4,5-Dichloro-2-(m-tolyl)pyridazin-3(2H)-one | 4,5-Dichloro-2-(3-methylphenyl) pyridazin-3(2H)-one | DTXSID30354705 | 4,5-dichloro-2-(3-methylphenyl)-3(2H)-pyridazinone | HMS2821H0

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

LCS-1 is an inhibitor of superoxide dismutase (SOD1). LCS-1 inhibits the proliferation of lung adendocarcinoma cell lines.

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504760144
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760144
• Sorrisi canonici: CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl
• IUPAC Name: 4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one
• InChIKey: SYUPLLHVMCLXEM-UHFFFAOYSA-N
• INCHI: 1S/C11H8Cl2N2O/c1-7-3-2-4-8(5-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
• Isomeri SMILES: CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl
• Numero UN: 2811
• Gruppo di imballaggio: III
• Peso molecolare: 255.1
• Reaxy-Rn: 790931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=790931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazinones
• Alternative Parents: Toluenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
• External Descriptors: Not available

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

Obiettivi associati (umani)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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BJ (6930 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

Discover Target: APOBEC3G

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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PAX8 Tchem Paired box protein Pax-8 (1910 Activities)

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Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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bla(tem-2) Beta Lactamase (819 Activities)

Discover Target: bla(tem-2)

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

LMP1 Latent membrane protein 1 (726 Activities)

Discover Target: LMP1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (50 mg/ml). Insoluble in water.
• Sensibilità: Light sensitive
• Indice di rifrazione: n20D1.63 (Predicted)
• Punto di ebollizione (°C): ~339.6° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 117° C
• Peso molecolare: 255.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.001 Da
• Monoisotopic Mass: 254.001 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Riferimenti

1. Renzheng Zhang, Xian Guo, Chunnian Liang, Jie Pei, Pengjia Bao, Mancai Yin, Fude Wu, Min Chu, Ping Yan.  (2022)  Identification and Validation of Yak (Bos grunniens) Frozen–Thawed Sperm Proteins Associated with Capacitation and the Acrosome Reaction.  JOURNAL OF PROTEOME RESEARCH,      [PMID:36251486] [10.1021/acs.jproteome.2c00528]

Domande frequenti

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 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. 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 41931-13-9, the molecular formula is C11H8Cl2N2O, and the molecular weight is 255.1 g/mol. InChIKey SYUPLLHVMCLXEM-UHFFFAOYSA-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.