5-Aminoindazole - ≥98% , CAS No.19335-11-6

CAS: 19335-11-6 Cat. No.: A113923 Peso molecular: 133.15 Beilstein Registry Number: 25(2)308 Número EC: 242-971-5

GRADE & PURITY ≥98%

Synonyms

AB00384262-15 | NSC 44676 | 1H-Pyrrole-3-propanoic acid, 2,4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester | HMS2232B16 | MFCD01138133 | 2H-Indazol-5-amine | 5-Aminoindazole, 97% | FT-0762293 | BDBM50304148 | MLS000069510 | NSC-757275 | W-206426 | M

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB00384262-15 | NSC 44676 | 1H-Pyrrole-3-propanoic acid, 2, 4-dimethyl-5-[(phenylmethoxy)carbonyl]-, methyl ester | HMS2232B16 | MFCD01138133 | 2H-Indazol-5-amine | 5-Aminoindazole, 97% | FT-0762293 | BDBM50304148 | MLS000069510 | NSC-757275 | W-206426 | M

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186464
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186464
• Sonrisas canónicas: C1=CC2=C(C=C1N)C=NN2
• IUPAC Name: 1H-indazol-5-amine
• InChIKey: XBTOSRUBOXQWBO-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
• Isómeros SMILES: C1=CC2=C(C=C1N)C=NN2
• WGK Alemania: 3
• RTECS: NK7711000
• Número ONU: 2811
• Peso molecular: 133.15
• Beilstein: 25(2)308
• Reaxy-Rn: 3259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3259&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

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

Discover Target: ROCK1

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

Discover Target: ROCK2

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Discover Target: RAB9A

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Objetivos asociados (no humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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dnaB Replicative DNA helicase (15 Activities)

Discover Target: dnaB

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

recA Protein RecA (2211 Activities)

Discover Target: recA

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 172-178°C
• Peso molecular: 133.150 g/mol
• XLogP3: 1.500
• 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

Referencias

1. Lian Ma, Yujie Qiang, Wenjie Zhao.  (2020)  Designing novel organic inhibitor loaded MgAl-LDHs nanocontainer for enhanced corrosion resistance.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.127367]