N-(3-Benzylthiazol-2(3H)-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide , TRULI - Moligand™, ≥99% , CAS No.1424635-83-5

CAS: 1424635-83-5 Cat. No.: T647262 Molecular Weight: 334.40

GRADE & PURITY Moligand™, ≥99%

Synonyms

Lats-IN-1 | (Z)-N-(3-benzylthiazol-2(3H)-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

TRULI (Lats-IN-1) is a potent and ATP-competitive inhibitor of Lats1 and Lats2 kinases. TRULI promotes Yap-dependent proliferation in postmitotic mammalian tissues.

In Vitro

The IC 50 for TRULI increases with the ATP concentration. TRULI (10 μM; 24 hours) interferes with the ability of Lats kinases to phosphorylate Yap, with an EC 50 of 510 nM. TRULI causes Yap-dependent proliferation of murine supporting cells in the inner ear, murine cardiomyocytes, and human Müller glia in retinal organoids. TRULI fosters both the G1-S and G2-M checkpoint transitions and yields supporting cells capable of transdifferentiation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: MCF 10A cells Concentration: 10 μM Incubation Time: 24 hours Result: Decreased the phosphorylation of Yap at residue S127.

Form:Solid

Specifications

Synonyms

Lats-IN-1 | (Z)-N-(3-benzylthiazol-2(3H)-ylidene)-1H-pyrrolo[2, 3-b]pyridine-3-carboxamide

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

TRULI (Lats-IN-1) is a potent and ATP-competitive inhibitor of Lats1 and Lats2 kinases. TRULI promotes Yap-dependent proliferation in postmitotic mammalian tissues.

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

MODULATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CNC4=C3C=CC=N4
• IUPAC Name: N-(3-benzyl-1,3-thiazol-2-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• InChIKey: VTXBMVZVPUSAJF-UHFFFAOYSA-N
• INCHI: 1S/C18H14N4OS/c23-17(15-11-20-16-14(15)7-4-8-19-16)21-18-22(9-10-24-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20)
• Isomeric SMILES: C1=CC=C(C=C1)CN2C=CSC2=NC(=O)C3=CNC4=C3C=CC=N4
• Molecular Weight: 334.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridinecarboxamides Pyrrole carboxamides Substituted pyrroles Benzene and substituted derivatives Vinylogous amides Thiazoles Heteroaromatic compounds Isothioureas Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinecarboxamide - Pyrrolopyridine - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Thiazole - Isothiourea - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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: DMSO : 50 mg/mL (149.53 mM; Need ultrasonic)
• Molecular Weight: 334.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 334.089 Da
• Monoisotopic Mass: 334.089 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 529.000
• 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