SRT2104 (GSK2245840) - Moligand™, ≥98% , NAD-dependent deacetylase sirtuin 1 activator, CAS No.1093403-33-8, NAD-dependent deacetylase sirtuin 1 activator

CAS: 1093403-33-8 Cat. No.: S413831 Molecular Weight: 516.64 PubChem CID: 25108829

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-Thiazolecarboxamide, 4-methyl-N-[2-[3-(4-morpholinylmethyl)imidazo[2,1-b]thiazol-6-yl]phenyl]-2-(3-pyridinyl)- | DTXSID00648729 | NCGC00379071-01 | 1093403-33-8 | s7792 | Tazarotene- Bio-X | 5-thiazolecarboxamide,4-methyl-n-(2-(3-(4-morpholinylmethyl)im

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SRT2104 (GSK2245840) is a selectiveSIRT1activator involved in the regulation of energy homeostasis. Phase 2.

Targets

SIRT1

In vitro

SRT2104 reduces p65/RelA acetylation levels in C2C12 cells.

In vivo

In male C57BL/6J mice, SRT2104 (100 mg/kg, p.o.) extends both mean and maximal lifespan of mice fed a standard diet, and enhances motor coordination, bone mineral density, and insulin sensitivity and decreased inflammation. Short-term SRT2104 treatment preserves bone and muscle mass in an experimental model of atrophy. In Male N171-82Q HD mice, SRT2104 (diet containing 0.5% SRT2104) effectively penetrates the blood-brain barrier, attenuates brain atrophy, improves motor function, and extends survival.

Cell Research(from reference)

Cell lines：C2C12 cell line 

Concentrations：3\xa0μM 

Incubation Time：24 h 

Specifications

Synonyms

5-Thiazolecarboxamide, 4-methyl-N-[2-[3-(4-morpholinylmethyl)imidazo[2, 1-b]thiazol-6-yl]phenyl]-2-(3-pyridinyl)- | DTXSID00648729 | NCGC00379071-01 | 1093403-33-8 | s7792 | Tazarotene- Bio-X | 5-thiazolecarboxamide, 4-methyl-n-(2-(3-(4-morpholinylmethyl)im

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

SRT2104 (GSK2245840) is a selective SIRT1 activator involved in the regulation of energy homeostasis. Phase 2.

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™

Action Type

ACTIVATOR

Mechanism of action

NAD-dependent deacetylase sirtuin 1 activator

Purity

≥98%

Product Properties

• ALogP: 2.813
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504769966
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769966
• Canonical Smiles: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6
• IUPAC Name: 4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• InChIKey: LAMQVIQMVKWXOC-UHFFFAOYSA-N
• INCHI: 1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)
• Isomeric SMILES: CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3C4=CN5C(=CSC5=N4)CN6CCOCC6
• PubChem CID: 25108829
• Molecular Weight: 516.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Phenylimidazoles 2,4,5-trisubstituted thiazoles Thiazolecarboxamides 2-heteroaryl carboxamides Aralkylamines Pyridines and derivatives Morpholines N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - 5-phenylimidazole - 4-phenylimidazole - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aralkylamine - Morpholine - N-substituted imidazole - Oxazinane - Pyridine - Thiazole - Heteroaromatic compound - Azole - Imidazole - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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)

SIRT1 Tchem NAD-dependent protein deacetylase sirtuin-1 (0 Activities)

Discover Target: SIRT1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 5 mg/mL warmed with 50ºC Water: bath (9.67 mM); Water: Insoluble; Ethanol: Insoluble
• Sensitivity: Moisture sensitive
• DMSO(mg / mL) Max Solubility: 16
• DMSO(mM) Max Solubility: 30.96934035
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 516.600 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 516.14 Da
• Monoisotopic Mass: 516.14 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 758.000
• 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