LCS 1 - ≥98% , CAS No.41931-13-9

CAS: 41931-13-9 Cat. No.: L341838 Fórmula: C₁₁H₈Cl₂N₂O Peso molecular: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760144
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760144
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

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

Discover Target: GLP1R

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

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)

Discover Target: GNAS

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Discover Target: RAB9A

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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

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

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

Discover Target: IDH1

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

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

Discover Target: PAX8

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Objetivos asociados (no humanos)

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (50 mg/ml). Insoluble in water.
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.63 (Predicted)
• Punto de ebullición (°C): ~339.6° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 117° C
• Peso molecular: 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

Referencias

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]

Preguntas frecuentes

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.