SMER3 - ≥98% , CAS No.67200-34-4

CAS: 67200-34-4 Cat. No.: S275012 分子式: C₁₁H₄N₄O₂ 分子量: 224.18 EC番号: 684-731-6 PubChem CID: 568763

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

ソース

Synthetic

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

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.

純度

≥98%

名前と識別子

パブケム・シド

504759296

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504759296

カノニカル・スマイル

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

異性体SMILES

C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O

PubChem CID

568763

分子量

224.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

Explore this target

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

A549 (127892 Activities)

Explore this target

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)

Explore this target

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

LNCaP C4-2 (165 Activities)

Explore this target

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 100 mM
• 感度: Heat sensitive
• 融点（°C）: 296 °C
• 分子量: 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

よくある質問

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 67200-34-4, the molecular formula is C11H4N4O2, and the molecular weight is 224.18 g/mol. InChIKey SFSSAKVWCKFRHE-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.