2,2'-Bipyridyl - AR, ≥99% , CAS No.366-18-7

CAS: 366-18-7 Cat. No.: D108977 Formula: C₁₀H₈N₂ Molecular Weight: 156.19 Beilstein Registry Number: 23199 EC Number: 206-674-4

GRADE & PURITY AR, ≥99%

Synonyms

2,2'-Dipyridyl | 2,2′-Dipyridine | 2,2'-Bipyridine

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

2,2'-Dipyridyl is a metalloprotease inhibitor that is also a high-affinity chelator of iron. It may inhibit Fe2+ containing enzymes at 10-8 M.
A high-affinity chelator of iron

Specifications

Synonyms

2,2'-Dipyridyl | 2,2′-Dipyridine | 2,2'-Bipyridine

Specifications & Purity

AR, ≥99%

Biochemical and Physiological Mechanisms

Symmetrical bipyridine commonly used as a neutral ligand for chelating with metal ions. Metalloprotease inhibitor. High-affinity chelator of iron. May inhibit Fe 2+ containing enzymes at 10 −8 M.

Storage

Protected from light,Room temperature

Shipped In

Normal

Grade

AR

Note

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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488179622
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179622
• Canonical Smiles: C1=CC=NC(=C1)C2=CC=CC=N2
• IUPAC Name: 2-pyridin-2-ylpyridine
• InChIKey: ROFVEXUMMXZLPA-UHFFFAOYSA-N
• INCHI: 1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
• Isomeric SMILES: C1=CC=NC(=C1)C2=CC=CC=N2
• RTECS: DW1750000
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 156.19
• Beilstein: 23199
• Reaxy-Rn: 113089
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: a small molecule

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)

METAP1 Tchem Methionine aminopeptidase 1 (1 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

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CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

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

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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

P4HTM Tchem Hypoxia-inducible factor prolyl 4-hydroxylase (111 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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CCRF-CEM (65223 Activities)

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SK-OV-3 (52876 Activities)

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HEK293 (82097 Activities)

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A2780 (11979 Activities)

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HUVEC (11049 Activities)

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HeLa (62764 Activities)

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CCR8 Tchem C-C chemokine receptor type 8 (339 Activities)

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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P4HA1 Tchem Prolyl 4-hydroxylase subunit alpha-1 (16 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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FNTA Tclin Protein farnesyltransferase (3470 Activities)

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KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

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Associated Targets(non-human)

Histidine-rich protein (528 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Ferriprotoporphyrin IX (165 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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Deoxyhypusine hydroxylase (6 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 100 mg/ml ethanol,
• Sensitivity: Light sensitive.
• Boil Point(°C): 272.5°C
• Melt Point(°C): 69.5°C
• Molecular Weight: 156.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.069 Da
• Monoisotopic Mass: 156.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 120.000
• 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