Indazole - ≥99% , CAS No.271-44-3

CAS: 271-44-3 Cat. No.: I157585 Fórmula: C₇H₆N₂ Peso molecular: 118.14 Beilstein Registry Number: 109676 Número CE: 205-978-4

GRAU & PUREZA ≥99%

Synonyms

1,2-Benzopyrazole | F0918-7060 | F1918-0009 | Indazole, 6 | UNII-7C4VQE5C03 | 1H-indazol | EINECS 205-978-4 | FT-0627194 | InChI=1/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9 | J-504679 | SY001125 | Z276614452 | CHEBI:36669 | 2-Azaindole | AM20060873 | SCH

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

A heterocyclic aromatic compound.

Especificações

Sinónimos

1,2-Benzopyrazole | F0918-7060 | F1918-0009 | Indazole, 6 | UNII-7C4VQE5C03 | 1H-indazol | EINECS 205-978-4 | FT-0627194 | InChI=1/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9 | J-504679 | SY001125 | Z276614452 | CHEBI:36669 | 2-Azaindole | AM20060873 | SCH

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504751801

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751801

Sorrisos canónicos

C1=CC=C2C(=C1)C=NN2

IUPAC Name

1H-indazole

InChIKey

BAXOFTOLAUCFNW-UHFFFAOYSA-N

INCHI

1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)

SMILES isoméricas

C1=CC=C2C(=C1)C=NN2

WGK Alemanha

3

RTECS

NK7745000

Peso molecular

118.14

Beilstein

109676

Reaxy-Rn

109676

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• External Descriptors: indazole

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

Alvos associados (humanos)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

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IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

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IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

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AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)

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NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

Discover Target: MAPKAPK2

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PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

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MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)

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ERBB4 Tclin Receptor protein-tyrosine kinase erbB-4 (2748 Activities)

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SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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RIPK2 Tchem Serine/threonine-protein kinase RIPK2 (1546 Activities)

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PAK1 Tchem Serine/threonine-protein kinase PAK 1 (2601 Activities)

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MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)

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FES Tclin Tyrosine-protein kinase FES (2339 Activities)

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PAK2 Tchem Serine/threonine-protein kinase PAK 2 (1925 Activities)

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BRAF Tclin Serine/threonine-protein kinase B-raf (11587 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2/cyclin A (2220 Activities)

Discover Target: CDK2

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Alvos associados (não humanos)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in hot water.
• Sensibilidade: Air sensitive
• Ponto de ebulição (°C): 270 °C
• Ponto de fusão (°C): 147 °C
• Peso molecular: 118.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.053 Da
• Monoisotopic Mass: 118.053 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 271-44-3, the molecular formula is C7H6N2, and the molecular weight is 118.14 g/mol. InChIKey BAXOFTOLAUCFNW-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.