SMER3 - ≥98% , CAS No.67200-34-4

CAS: 67200-34-4 Cat. No.: S275012 Formula: C₁₁H₄N₄O₂ Peso molecolare: 224.18 Numero EC: 684-731-6 PubChem CID: 568763

GRADE & PURITY ≥98%

Synonyms

13-oxa-10,12,14,16-tetraazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one | HY-10949 | Oprea1_783821 | US9073941, 28 | Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one | ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]a

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

13-oxa-10,12,14,16-tetraazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one | HY-10949 | Oprea1_783821 | US9073941, 28 | Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one | ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]a

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Cell permeable, selective SCF Met30 ubiquitin E3 ligase inhibitor. Enhances the action of rapamycin. Induces cell cycles arrest (IC 50 = 10-30 μM). Active in vivo.

Fonte

Synthetic

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504759296
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759296
• Sorrisi canonici: C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O
• IUPAC Name: 13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
• InChIKey: SFSSAKVWCKFRHE-UHFFFAOYSA-N
• INCHI: 1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H
• Isomeri SMILES: C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O
• PubChem CID: 568763
• Peso molecolare: 224.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Aryl ketones
• Alternative Parents: Pyrazines Benzenoids Heteroaromatic compounds Furazans Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl ketone - Benzenoid - Pyrazine - Heteroaromatic compound - Oxadiazole - Furazan - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
• 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

Obiettivi associati (umani)

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

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

PC-3 (62116 Activities)

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A549 (127892 Activities)

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

CTNNB1 Tchem Catenin beta-1 (517 Activities)

Discover Target: CTNNB1

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

BIRC5 Tchem Baculoviral IAP repeat-containing protein 5 (144 Activities)

Discover Target: BIRC5

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

L02 (4864 Activities)

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

LNCaP C4-2 (165 Activities)

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

Obiettivi associati (non umani)

PTGES Prostaglandin E synthase (10 Activities)

Discover Target: PTGES

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

dlaT Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (54 Activities)

Discover Target: dlaT

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO to 100 mM
• Sensibilità: Heat sensitive
• Punto di fusione (°C): 296 °C
• Peso molecolare: 224.170 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 224.033 Da
• Monoisotopic Mass: 224.033 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 350.000
• 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