10074-G5 - ≥98% , CAS No.413611-93-5

CAS: 413611-93-5 Cat. No.: G356188 Fórmula: C₁₈H₁₂N₄O₃ Peso molecular: 332.31 Número CE: 686-939-2

GRAU & PUREZA ≥98%

Synonyms

Biphenyl-2-yl-(7-nitrobenzo[1,2,5]oxadiazol-4-yl)amine | s8426 | SCHEMBL2689577 | SMR004704145 | 10074-G5, >=98% (HPLC) | Oprea1_158245 | NSC764609 | NSC-764609 | N-2-Biphenylyl-7-nitro-2,1,3-benzoxadiazol-4-amine | MFCD00576774 | AKOS032946699 | DTXSID60

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

Biphenyl-2-yl-(7-nitrobenzo[1,2,5]oxadiazol-4-yl)amine | s8426 | SCHEMBL2689577 | SMR004704145 | 10074-G5, >=98% (HPLC) | Oprea1_158245 | NSC764609 | NSC-764609 | N-2-Biphenylyl-7-nitro-2,1,3-benzoxadiazol-4-amine | MFCD00576774 | AKOS032946699 | DTXSID60

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

10074-G5 is a c-Myc/Max interaction inhibitor. The c-Myc oncoprotein and its partner Max are intrinsically disordered (ID) monomers that undergo coupled folding and binding upon heterodimerization. 10074-G5, similarly to 10058-F4 (#F3680), specifically in

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762232

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762232

Sorrisos canónicos

C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=C(C4=NON=C34)[N+](=O)[O-]

IUPAC Name

4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine

InChIKey

KMJPYSQOCBYMCF-UHFFFAOYSA-N

INCHI

1S/C18H12N4O3/c23-22(24)16-11-10-15(17-18(16)21-25-20-17)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11,19H

SMILES isoméricas

C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=C(C4=NON=C34)[N+](=O)[O-]

Peso molecular

332.31

Reaxy-Rn

19598921

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19598921&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoxadiazoles Nitroaromatic compounds Aniline and substituted anilines Heteroaromatic compounds Furazans Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Benzoxadiazole - Nitroaromatic compound - Aniline or substituted anilines - Azole - Furazan - Oxadiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Alvos associados (humanos)

Daudi (625 Activities)

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

HL-60 (67320 Activities)

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Huh-7 (12904 Activities)

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NCI-H460 (60772 Activities)

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LNCaP (8286 Activities)

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

MYC Tchem Myc proto-oncogene protein (1178 Activities)

Discover Target: MYC

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

MAX Tbio Protein max (98 Activities)

Discover Target: MAX

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

MYC Tchem c-Myc/Max (258 Activities)

Discover Target: MYC

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO and DMF
• Peso molecular: 332.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 332.091 Da
• Monoisotopic Mass: 332.091 Da
• Topological Polar Surface Area: 96.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 466.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 413611-93-5, the molecular formula is C18H12N4O3, and the molecular weight is 332.31 g/mol. InChIKey KMJPYSQOCBYMCF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.