KRIBB11 - 10mM in DMSO , CAS No.342639-96-7

CAS: 342639-96-7 Cat. No.: K423498 분자식: C₁₃H₁₂N₆O₂ 분자량: 284.28

GRADE & PURITY 10mM in DMSO

Synonyms

2-N-(1H-Indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Shipped at 4°C. Store at -20°C. Store In the Dark.

Specifications

동의어

2-N-(1H-Indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

KRIBB11 can prevent the proliferation of cancer cells. It has the ability to stimulate cell apoptosis and can arrest the cell cycle in the G2/M phase. KRIBB11 is an inhibitor of the transcription factor heat shock factor 1 (HSF1) with an IC50 value of 1.2

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)NN=C3
• IUPAC Name: 2-N-(1H-indazol-5-yl)-6-N-methyl-3-nitropyridine-2,6-diamine
• InChIKey: NDJJEQIMIJJCLL-UHFFFAOYSA-N
• INCHI: 1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)
• 이성체 SMILES: CNC1=NC(=C(C=C1)[N+](=O)[O-])NC2=CC3=C(C=C2)NN=C3
• 분자량: 284.28
• Reaxy-Rn: 14356094
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14356094&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Nitroaromatic compounds Aminopyridines and derivatives Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Nitroaromatic compound - Aminopyridine - Imidolactam - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

관련 대상(인간)

HCT-116 (91556 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 284.270 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.102 Da
• Monoisotopic Mass: 284.102 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 376.000
• 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

자주 묻는 질문

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 342639-96-7, the molecular formula is C13H12N6O2, and the molecular weight is 284.28 g/mol. InChIKey NDJJEQIMIJJCLL-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.