NSAH - ≥98% , CAS No.1099592-35-4

CAS: 1099592-35-4 Cat. No.: N412910 Molecular Weight: 306.32

GRADE & PURITY ≥98%

Synonyms

2-Hydroxy-N'-[(E)-(2-hydroxy-1-naphthyl)methylidene]benzohydrazide # | 2-Hydroxy-N'-[(E)-(3-hydroxy-2-naphthyl)methylene]benzohydrazide | AKOS000981521 | 2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone | (e)-2-hydroxy-n'-((2-hydroxynaphthalen-1-yl)methyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

NSAH is a reversible and competitive inhibitor OF nonnucleoside ribonucleotide reductase (RR) with IC50 of 32 Μm and ~250 nM in cell-free assay and cell-based assay, respectively.

Specifications

Synonyms

2-Hydroxy-N'-[(E)-(2-hydroxy-1-naphthyl)methylidene]benzohydrazide # | 2-Hydroxy-N'-[(E)-(3-hydroxy-2-naphthyl)methylene]benzohydrazide | AKOS000981521 | 2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone | (e)-2-hydroxy-n'-((2-hydroxynaphthalen-1-yl)methyl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

NSAH is a reversible and competitive inhibitor OF nonnucleoside ribonucleotide reductase (RR) with IC50 of 32 Μm and ~250 nM in cell-free assay and cell-based assay, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC=CC=C3O)O
• IUPAC Name: 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
• InChIKey: ZZSJOLDICPVVAV-YBFXNURJSA-N
• INCHI: 1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=CC=C3O)O
• Molecular Weight: 306.32
• Reaxy-Rn: 2004636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2004636&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Azines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Azine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Associated Targets(Human)

RRM1 Tclin Ribonucleoside-diphosphate reductase M1 chain (163 Activities)

Discover Target: RRM1

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

RRM2 Tclin Ribonucleoside-diphosphate reductase M2 chain (14 Activities)

Discover Target: RRM2

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

HCT-116 (91556 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 306.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 306.1 Da
• Monoisotopic Mass: 306.1 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1