JAK2 JH2 Tracer , CAS No.2101955-00-2

CAS: 2101955-00-2 Cat. No.: J648322 Molecular Weight: 747.73 PubChem CID: 131704489

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

JAK2 JH2 Tracer (Tracer 5) is a fluorescent probe for JAK2 JH2 domain, with a K d of value 0.2 μM.

In Vitro

JAK2 JH2 Tracer shows a minimum tracer concentration that retains a satisfactory signal-to-noise ratio is found to be 1.5 pM. JAK2 JH2 Tracer shows a dissociation constants near 0.2 μM. JAK2 JH2 Tracer shows a high binding affinity with a K d value of 0.2 μM for JAK2 JH2 domain by saturation experiments. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The possibility that mutations within the JAK2 JH2 domain may be associated with pathology, which is associated with a hyperactive kinase and a hematopoietic malignancy phenotype in flies. Specific mutation in the JAK2 JH2 domain is associated with several myeloproliferative diseases. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Biochemical and Physiological Mechanisms

JAK2 JH2 Tracer (Tracer 5) is a fluorescent probe for JAK2 JH2 domain, with a K d of value 0.2 μM.

Storage

Protected from light, 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.

Names and Identifiers

• Canonical Smiles: CN(CC1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CC=C3F)F)C(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O
• IUPAC Name: 1-[[4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-1-methylthiourea
• InChIKey: OAJQEPALUDJGLJ-UHFFFAOYSA-N
• INCHI: 1S/C38H27F2N7O6S/c1-46(18-19-5-7-20(8-6-19)42-36-44-35(41)47(45-36)33(50)32-28(39)3-2-4-29(32)40)37(54)43-21-9-12-25-24(15-21)34(51)53-38(25)26-13-10-22(48)16-30(26)52-31-17-23(49)11-14-27(31)38/h2-17,48-49H,18H2,1H3,(H,43,54)(H3,41,42,44,45)
• Isomeric SMILES: CN(CC1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CC=C3F)F)C(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O
• PubChem CID: 131704489
• Molecular Weight: 747.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Phthalides Benzofuranones 2-halobenzoic acids and derivatives Isobenzofurans Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Triazoles Heteroaromatic compounds Thioureas Lactones Carboxylic acid esters Amino acids and derivatives Secondary amines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Isobenzofuranone - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phthalide - Benzofuranone - Isocoumaran - Isobenzofuran - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Azole - Thiourea - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 83.3 mg/mL (111.40 mM)
• Molecular Weight: 747.700 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 747.171 Da
• Monoisotopic Mass: 747.171 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1360.000
• 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