3-Amino-1H-indazole - ≥97% , CAS No.874-05-5

CAS: 874-05-5 Cat. No.: A134463 Molecular Weight: 133.15 EC Number: 692-411-2

GRADE & PURITY ≥97%

Synonyms

3nus | BBL104359 | INDAZOL-3-AMINE | indazole amine | NCI60_004031 | Q27182567 | CCG-302505 | MFCD00182045 | US11661426, Compound 353a | 3-Indazolamine | HMS2604G05 | EN300-02352 | MLS001001985 | NCGC00096649-01 | NCIStruc1_001630 | SB39259 | 1H-Indazol-3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3nus | BBL104359 | INDAZOL-3-AMINE | indazole amine | NCI60_004031 | Q27182567 | CCG-302505 | MFCD00182045 | US11661426, Compound 353a | 3-Indazolamine | HMS2604G05 | EN300-02352 | MLS001001985 | NCGC00096649-01 | NCIStruc1_001630 | SB39259 | 1H-Indazol-3

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488181846
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181846
• Canonical Smiles: C1=CC=C2C(=C1)C(=NN2)N
• IUPAC Name: 1H-indazol-3-amine
• InChIKey: YDTDKKULPWTHRV-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=NN2)N
• Molecular Weight: 133.15
• Reaxy-Rn: 3706
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3706&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 Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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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)

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

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

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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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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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

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

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PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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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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CYP1A2 Tchem Cytochrome P450 1A2 (26471 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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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 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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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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Associated Targets(non-human)

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

Discover Target: PIK3CA

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Melt Point(°C): 150-153°C
• Molecular Weight: 133.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.064 Da
• Monoisotopic Mass: 133.064 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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