Syk Inhibitor(Isomer mixture) - Moligand™, ≥98%, mixture of isomers , Inhibitor of spleen associated tyrosine kinase, CAS No.622387-85-3, Inhibitor of spleen associated tyrosine kinase

CAS: 622387-85-3 Cat. No.: S274810 Molecular Weight: 353.39 PubChem CID: 24906266

GRADE & PURITY Moligand™, ≥98%, mixture of isomers

Synonyms

3-(1-METHYLINDOL-3-YLMETHYLENE)-2-OXO-2,3-DIHYDROINDOLE-5-SULFONICACIDAMIDE | 3-[(1-methyl-1H-indol-3-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide | N-Boc-4-phenylnipecoticacid | DTXSID30648015 | (Z)-3-((1-methyl-1H-indol-3-yl)methylene)-2-ox

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

3-(1-METHYLINDOL-3-YLMETHYLENE)-2-OXO-2, 3-DIHYDROINDOLE-5-SULFONICACIDAMIDE | 3-[(1-methyl-1H-indol-3-yl)methylidene]-2-oxo-2, 3-dihydro-1H-indole-5-sulfonamide | N-Boc-4-phenylnipecoticacid | DTXSID30648015 | (Z)-3-((1-methyl-1H-indol-3-yl)methylene)-2-ox

Specifications & Purity

Moligand™, ≥98%, mixture of isomers

Biochemical and Physiological Mechanisms

Potent, selective inhibitor of B cell signaling and function. (IC 50 = 14 nM) Cell permeable. Active in vitro and in vivo.

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of spleen associated tyrosine kinase

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O
• IUPAC Name: 3-[(1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
• InChIKey: MLKHXLFEYOOYEY-UHFFFAOYSA-N
• INCHI: 1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)
• Isomeric SMILES: CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O
• PubChem CID: 24906266
• Molecular Weight: 353.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indolines Indoles Organosulfonamides N-methylpyrroles Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Dihydroindole - N-methylpyrrole - Substituted pyrrole - Organosulfonic acid amide - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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)

FCER2 Tchem Low affinity immunoglobulin epsilon Fc receptor (0 Activities)

Discover Target: FCER2

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

SYK Tclin Tyrosine-protein kinase SYK (1 Activities)

Discover Target: SYK

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

NTRK2 Tclin BDNF/NT-3 growth factors receptor (0 Activities)

Discover Target: NTRK2

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

NTRK1 Tclin High affinity nerve growth factor receptor (0 Activities)

Discover Target: NTRK1

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

NTRK3 Tclin NT-3 growth factor receptor (0 Activities)

Discover Target: NTRK3

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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 10 mM
• Sensitivity: light sensitive
• Molecular Weight: 353.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 353.083 Da
• Monoisotopic Mass: 353.083 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 684.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1