3-TYP - Moligand™,10mM in DMSO , CAS No.120241-79-4

CAS: 120241-79-4 Cat. No.: T420892 Formula: C₇H₆N₄ Molecular Weight: 146.15 PubChem CID: 9833992

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

3-(1H-1,2,3-triazol-4-yl) pyridinePyridine

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

3-TYP (3-(1H-1,2,3-triazol-4-yl) pyridine) is a selectiveSIRT3inhibitor which is selective for Sirt3 over Sirt1 and Sirt2. The IC50 values for SITR1, SIRT2, SIRT3 are 88 nM, 92 nM, 16 nM respectively.

Targets

SIRT3 (cell-free); SIRT1 (cell-free); SIRT2 (cell-free) 16 nM; 88 nM; 92 nM

In vitro

Melatonin-induced increases in deacetylated-SOD2 expression and SOD2 activity are significantly attenuated by 3-TYP in HepG2 cells exposed to Cd (cadmium).

Cell Research(from reference)

Cell lines：HepG2 cells 

Concentrations：50 μM 

Incubation Time：12 h 

Specifications

Synonyms

3-(1H-1,2,3-triazol-4-yl) pyridinePyridine

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

3-TYP (3-(1H-1,2,3-triazol-4-yl) pyridine) is a selective SIRT3 inhibitor which is selective for Sirt3 over Sirt1 and Sirt2. The IC50 values for SITR1, SIRT2, SIRT3 are 88 nM, 92 nM, 16 nM respectively.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Action Type

INHIBITOR

Product Properties

alogp

0.602

hbd_count

1

rotatable_bond

1

Names and Identifiers

Canonical Smiles

C1=CC(=CN=C1)C2=NNN=C2

IUPAC Name

3-(2H-triazol-4-yl)pyridine

InChIKey

VYXFEFOIYPNBFK-UHFFFAOYSA-N

INCHI

1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)

Isomeric SMILES

C1=CC(=CN=C1)C2=NNN=C2

PubChem CID

9833992

Molecular Weight

146.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,3-triazoles
• Alternative Parents: Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridyl-1,2,3-triazole - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridyl-1,2,3-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,3-triazole ring.
• 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)

METAP2 Tchem Methionine aminopeptidase 2 (1 Activities)

Discover Target: METAP2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

METAP2 Tchem Methionine aminopeptidase 2 (1512 Activities)

Discover Target: METAP2

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MDA-MB-468 (9477 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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HeLa (62764 Activities)

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Malme-3M (44254 Activities)

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MDA-MB-231 (73002 Activities)

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Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mechanisms of Action

Chemical and Physical Properties

• dmso_mg_max_solubility: 29
• dmso_mM_max_solubility: 198.4262744
• water_mg_max_solubility: 5
• water_mM_max_solubility: 34.21142662
• Molecular Weight: 146.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.059 Da
• Monoisotopic Mass: 146.059 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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

Frequently Asked Questions

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 ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 120241-79-4, the molecular formula is C7H6N4, and the molecular weight is 146.15 g/mol. InChIKey VYXFEFOIYPNBFK-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.