6-Bromoindazole - ≥98% , CAS No.79762-54-2

CAS: 79762-54-2 Cat. No.: B152362 Fórmula: C₇H₅BrN₂ Peso molecular: 197.04 Número CE: 626-742-0

GRAU & PUREZA ≥98%

Synonyms

6-Bromo-2H-indazole|NOREPINEPHRINE D-BITARTRATE [MI]|6-bromo-1-H-indazole|6-bromo-1H-indazole|1H-Indazole, 6-bromo-|1H-INDAZOLE,6-BROMO-|2-propenamide, n-[(3-chlorophenyl)methyl]-|2-PROPEN-1-ONE, 1-(4-((4-((3,4-DICHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)OXY)-1-PIPERIDINYL)-|(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphate|6-bromanyl-1H-indazole|6-Bromoindazole

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

6-Bromo-2H-indazole | NOREPINEPHRINE D-BITARTRATE [MI] | 6-bromo-1-H-indazole | 6-bromo-1H-indazole | 1H-Indazole, 6-bromo- | 1H-INDAZOLE,6-BROMO- | 2-propenamide, n-[(3-chlorophenyl)methyl]- | 2-PROPEN-1-ONE, 1-(4-((4-((3,4-DICHLORO-2-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)OXY)-1-PIPERIDINYL)- | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[ Show more

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488199558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199558

Sorrisos canónicos

C1=CC2=C(C=C1Br)NN=C2

IUPAC Name

6-bromo-1H-indazole

InChIKey

WMKDUJVLNZANRN-UHFFFAOYSA-N

INCHI

1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

SMILES isoméricas

C1=CC2=C(C=C1Br)NN=C2

WGK Alemanha

3

Peso molecular

197.04

Reaxy-Rn

10424074

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10424074&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 Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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: 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

Alvos associados (humanos)

METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

Discover Target: METAP2

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

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

Discover Target: NOS1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 180-185°C
• Peso molecular: 197.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.964 Da
• Monoisotopic Mass: 195.964 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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