JK184 - 10mM in DMSO , CAS No.315703-52-7

CAS: 315703-52-7 Cat. No.: J423282 Molecular Weight: 350.44 EC Number: 683-690-1

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS016003923 | DTXSID70360042 | B2693-462944 | BDBM50249523 | N-(4-ETHOXYPHENYL)-4-{2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL}-1,3-THIAZOL-2-AMINE | NCGC00263211-01 | Oprea1_052741 | s6565 | HMS3677J10 | BCP21568 | N-(4-Ethoxyphenyl)-4-(2-methylimidazo-[1,2-a]p

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

JK184 is a potent Hedgehog (Hh) pathway inhibitor with IC50 of 30 nM in mammalian cells.

Specifications

Synonyms

AKOS016003923 | DTXSID70360042 | B2693-462944 | BDBM50249523 | N-(4-ETHOXYPHENYL)-4-{2-METHYLIMIDAZO[1, 2-A]PYRIDIN-3-YL}-1, 3-THIAZOL-2-AMINE | NCGC00263211-01 | Oprea1_052741 | s6565 | HMS3677J10 | BCP21568 | N-(4-Ethoxyphenyl)-4-(2-methylimidazo-[1, 2-a]p

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

JK184 is a Hedgehog signaling pathway antagonist. JK184 blocks sonic hedgehog induced Gli transcription with an IC50 of 30 nM, and disrupts hedgehog signalling by inhibition of alcohol dehydrogenase 7 and depolymerization of mirotubules.Potent Hedgehog (H

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C
• IUPAC Name: N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
• InChIKey: ROYXIPOUVGDTAO-UHFFFAOYSA-N
• INCHI: 1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)
• Isomeric SMILES: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C
• WGK Germany: 3
• Molecular Weight: 350.44
• Reaxy-Rn: 13060319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13060319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers 2,4-disubstituted thiazoles Pyridines and derivatives N-substituted imidazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiazole - Ether - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. 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

Associated Targets(Human)

BXPC-3 (2997 Activities)

Explore this target

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

Daoy (570 Activities)

Explore this target

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

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

Shh Sonic hedgehog protein (356 Activities)

Discover Target: Shh

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

• Molecular Weight: 350.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 350.12 Da
• Monoisotopic Mass: 350.12 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 432.000
• 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