IMB-XH1 - ≥95% , CAS No.292057-76-2

CAS: 292057-76-2 Cat. No.: I413017 분자식: C₁₉H₁₅N₃OS 분자량: 333.41

GRADE & PURITY ≥95%

Synonyms

Mcl1-IN-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

Mcl1-IN-2

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

IMB-XH1 is a myeloid cell factor 1 (Mcl-1) inhibitor and a non-competitive\xa0Delhi metallo-β-lactamase (NDM-1) inhibitor with IC50 of 0.4637 μM, 3.980 μM, 0.2287 μM and 1.158 μM against metallo-β-lactamases NDM-1, IMP-4, ImiS and L1, respectively.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥95%

이름과 식별자

• 정식 스마일: C1=CC=NC(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4
• IUPAC Name: 7-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
• InChIKey: ICJKSTJCIAGPIS-UHFFFAOYSA-N
• INCHI: 1S/C19H15N3OS/c23-19-14(9-8-13-5-3-11-21-17(13)19)18(15-6-4-12-24-15)22-16-7-1-2-10-20-16/h1-12,18,23H,(H,20,22)
• 이성체 SMILES: C1=CC=NC(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4
• 분자량: 333.41
• Reaxy-Rn: 25306220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25306220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Aminopyridines and derivatives 1-hydroxy-4-unsubstituted benzenoids Imidolactams Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Aminopyridine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

화학 및 물리적 특성

• 분자량: 333.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 333.094 Da
• Monoisotopic Mass: 333.094 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

What is the purity of this product?

This product is supplied at ≥95% 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 292057-76-2, the molecular formula is C19H15N3OS, and the molecular weight is 333.41 g/mol. InChIKey ICJKSTJCIAGPIS-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.