N106 - ≥98%(HPLC) , CAS No.862974-25-2

CAS: 862974-25-2 Cat. No.: N287217 Summenformel: C₁₇H₁₄N₄O₃S Molekulargewicht: 354.38

QUALITÄT & REINHEIT ≥98%(HPLC)

Synonyms

4-Methoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl-2-benzothiazolamine | N-106

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

4-Methoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl-2-benzothiazolamine | N-106

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Activator of SUMO-activating enzyme, E1 ligase. Increases SERCA2a SUMOylation and activity, and enhances contractility in rat cardiomyocytesin vitro. Improves ventricular function in a mouse model of heart disease.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ACTIVATOR

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

528766224

Kanonisches Lächeln

COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)OC

IUPAC Name

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine

InChIKey

FBCSWQRNKAYAGY-UHFFFAOYSA-N

INCHI

1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)

Isomere SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC4=C(C=CC=C4S3)OC

Molekulargewicht

354.38

Reaxy-Rn

26677785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26677785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Thiazole - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur 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

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

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STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

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PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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FPR1 Tchem Formyl peptide receptor 1 (1372 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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HSPA1A Tchem Heat shock 70 kDa protein 1 (164 Activities)

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PTK2B Tclin Protein tyrosine kinase 2 beta (2827 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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

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STAT1 Tchem Signal transducer and activator of transcription 1-alpha/beta (808 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

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BLM Tchem Bloom syndrome protein (4248 Activities)

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

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EIF4H Tchem Eukaryotic translation initiation factor 4H (242 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PABPC1 Tbio Polyadenylate-binding protein 1 (2615 Activities)

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IDE Tchem Insulin-degrading enzyme (806 Activities)

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

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 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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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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HSPA8 Heat shock cognate 71 kDa protein (1 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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

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NS1 Nonstructural protein 1 (33327 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 7.09, Max Conc. mM: 20 with gentle warming
• Molekulargewicht: 354.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 354.079 Da
• Monoisotopic Mass: 354.079 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 438.000
• 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