NAI - Moligand™,≥95% , CAS No.1055970-47-2

CAS: 1055970-47-2 Cat. No.: N288069 Formula: C₁₀H₉N₃O Molecular Weight: 187.20 EC Number: 805-420-5

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-(1H-imidazole-1-carbonyl)-2-methylpyridine | 5S rRNA modificator 2 | Imidazol-1-yl-(2-methyl-3-pyridyl)methanone | 3-(1H-Imidazol-1-ylcarbonyl)-2-methylpyridine | (1H-Imidazol-1-yl)(2-methylpyridin-3-yl)methanone | 2-Methylnicotinic acid imidazolide | Z

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Reagent for RNA SHAPE-MaP experiments in live cells

Application：

2-Methylnicotinic acid imidazolide (NAI or mNAI) is an RNA SHAPE probe for live-cell RNA structure profiling. SHAPE -- or selective 2′-hydroxyl acylation analyzed by primer extension -- uses small, electrophilic chemical probes to react with the 2′-hydroxyl group and provides insight to RNA structure and its dynamics in varied cells states or in cells with gene knockouts. It has also been extended to the SHALiPE approach, selective 2′-hydroxyl acylation with lithium ion-based primer extension.

Specifications

Synonyms

3-(1H-imidazole-1-carbonyl)-2-methylpyridine | 5S rRNA modificator 2 | Imidazol-1-yl-(2-methyl-3-pyridyl)methanone | 3-(1H-Imidazol-1-ylcarbonyl)-2-methylpyridine | (1H-Imidazol-1-yl)(2-methylpyridin-3-yl)methanone | 2-Methylnicotinic acid imidazolide | Z

Specifications & Purity

Moligand™,≥95%

Biochemical and Physiological Mechanisms

NAI is a reagent for RNA SHAPE-MaP experiments in live cells. Acylates the 2'-OH in RNA, labels single stranded or flexible regions more than folded regions (SHAPE methodology). Enables analysis of RNA secondary structures at single nucleotide resolution.

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.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504771835
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771835
• Canonical Smiles: CC1=C(C=CC=N1)C(=O)N2C=CN=C2
• IUPAC Name: imidazol-1-yl-(2-methylpyridin-3-yl)methanone
• InChIKey: OWQPEDNXDCVXJO-UHFFFAOYSA-N
• INCHI: 1S/C10H9N3O/c1-8-9(3-2-4-12-8)10(14)13-6-5-11-7-13/h2-7H,1H3
• Isomeric SMILES: CC1=C(C=CC=N1)C(=O)N2C=CN=C2
• Molecular Weight: 187.20
• Reaxy-Rn: 8679669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8679669&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids and derivatives
• Alternative Parents: N-acylimidazoles Methylpyridines Carbonylimidazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid or derivatives - N-acylimidazole - Imidazole-1-carbonyl group - Methylpyridine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
• 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 18.72, Max Conc. mM: 100
• Melt Point(°C): 68-72 °C
• Molecular Weight: 187.200 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.075 Da
• Monoisotopic Mass: 187.075 Da
• Topological Polar Surface Area: 47.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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

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Frequently Asked Questions

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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 1055970-47-2, the molecular formula is C10H9N3O, and the molecular weight is 187.20 g/mol. InChIKey OWQPEDNXDCVXJO-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.