7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine , CAS No.842964-23-2

CAS: 842964-23-2 Cat. No.: P336018 Peso molecular: 218.26 PubChem CID: 1095028

Synonyms

SMR000290499 | STK346797 | (7-piperidinobenzofurazan-4-yl)amine | HMS2693M03 | cid_1095028 | VS-02382 | NBF-2 | SCHEMBL20442149 | 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine | AKOS000303236 | BBL010204 | SR-01000324642-1 | 7-Piperidin-1-yl-benzo[1,2,5]ox

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SMR000290499 | STK346797 | (7-piperidinobenzofurazan-4-yl)amine | HMS2693M03 | cid_1095028 | VS-02382 | NBF-2 | SCHEMBL20442149 | 4-piperidin-1-yl-2, 1, 3-benzoxadiazol-7-amine | AKOS000303236 | BBL010204 | SR-01000324642-1 | 7-Piperidin-1-yl-benzo[1, 2, 5]ox

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CCN(CC1)C2=CC=C(C3=NON=C23)N
• IUPAC Name: 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
• InChIKey: LTNPOSGMLWWFOH-UHFFFAOYSA-N
• INCHI: 1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2
• Isómeros SMILES: C1CCN(CC1)C2=CC=C(C3=NON=C23)N
• PubChem CID: 1095028
• Peso molecular: 218.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Dialkylarylamines Piperidines Benzenoids Heteroaromatic compounds Furazans Azacyclic compounds Primary amines Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Piperidine - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Tertiary amine - Azacycle - Organopnictogen compound - Primary amine - Organic oxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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CASP3 Tchem Caspase-3 (3632 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SENP8 Tchem Sentrin-specific protease 8 (1687 Activities)

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SENP7 Tchem Sentrin-specific protease 7 (1073 Activities)

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SENP6 Tchem Sentrin-specific protease 6 (1074 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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Dengue virus type 2 NS3 protein (2214 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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recA Protein RecA (2211 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 218.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 218.117 Da
• Monoisotopic Mass: 218.117 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 244.000
• 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