3-Amino-6-bromo-1H-indazole - ≥97% , CAS No.404827-77-6

CAS: 404827-77-6 Cat. No.: A184357 Molecular Weight: 212 EC Number: 690-455-7

GRADE & PURITY ≥97%

Synonyms

BCP26665 | 6-BROMO-1H-INDAZOL-3-YLAMINE | 6-bromo-1h-indazol-3-yl-amine | FT-0677999 | DTXSID40383026 | 6-Bromo-1H-indazol-3-amine, AldrichCPR | 6-Bromo-3-amino-1H-indazole | A6772 | WLDHNAMVDBASAW-UHFFFAOYSA-N | MFCD05665872 | SCHEMBL424831 | BDBM5025498

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BCP26665 | 6-BROMO-1H-INDAZOL-3-YLAMINE | 6-bromo-1h-indazol-3-yl-amine | FT-0677999 | DTXSID40383026 | 6-Bromo-1H-indazol-3-amine, AldrichCPR | 6-Bromo-3-amino-1H-indazole | A6772 | WLDHNAMVDBASAW-UHFFFAOYSA-N | MFCD05665872 | SCHEMBL424831 | BDBM5025498

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193970
• Canonical Smiles: C1=CC2=C(C=C1Br)NN=C2N
• IUPAC Name: 6-bromo-1H-indazol-3-amine
• InChIKey: WLDHNAMVDBASAW-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
• Isomeric SMILES: C1=CC2=C(C=C1Br)NN=C2N
• Molecular Weight: 212
• Reaxy-Rn: 14583030
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14583030&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Imidolactams Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Aryl bromide - Aryl halide - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 227-230℃
• Molecular Weight: 212.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.975 Da
• Monoisotopic Mass: 210.975 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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