(E/Z)-IT-603 - ≥98% , CAS No.292168-90-2

CAS: 292168-90-2 Cat. No.: E412909 Formula: C₁₁H₉BrN₂O₃S Peso molecolare: 329.17 PubChem CID: 840180

GRADE & PURITY ≥98%

Synonyms

5-​[(5-​bromo-​2-​hydroxy-​3-​methoxyphenyl)​methylene]​-​2-​thioxo-4-​Imidazolidinone | 5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

(E/Z)-IT-603 is a mixture of E-IT-603 and Z-IT-603. IT-603 is a NF-κB family memberc-Relinhibitor with an IC50 of 3 μM in electrophoretic mobility shift assay (EMSA).

IT-603 is a c-Rel inhibitor with an IC50 of 3 μM. IT-603 has anti-tumor activity. (E/Z)-IT-603 is a promising modulator of T-cell responses in the context of graft-versus-host disease (GVHD) and malignant diseases

Specifications

Sinonimi

5-​[(5-​bromo-​2-​hydroxy-​3-​methoxyphenyl)​methylene]​-​2-​thioxo-4-​Imidazolidinone | 5-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

(E/Z)-IT-603 is a mixture of E-IT-603 and Z-IT-603. IT-603 is a NF-κB family member c-Rel inhibitor with an IC50 of 3 μM in electrophoretic mobility shift assay (EMSA).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504760255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760255
• Sorrisi canonici: COC1=CC(=CC(=C1O)C=C2C(=O)NC(=S)N2)Br
• IUPAC Name: (5E)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
• InChIKey: PYLYAEDUIKQBOT-XVNBXDOJSA-N
• INCHI: 1S/C11H9BrN2O3S/c1-17-8-4-6(12)2-5(9(8)15)3-7-10(16)14-11(18)13-7/h2-4,15H,1H3,(H2,13,14,16,18)/b7-3+
• Isomeri SMILES: COC1=CC(=CC(=C1O)/C=C/2\C(=O)NC(=S)N2)Br
• PubChem CID: 840180
• Peso molecolare: 329.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Alpha amino acids and derivatives Phenoxy compounds P-bromophenols Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Imidazolidinones Thioureas Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organobromides Organonitrogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - 4-halophenol - Methoxybenzene - 4-bromophenol - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Imidazolidinone - Aryl halide - Monocyclic benzene moiety - Imidazolidine - Thiourea - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 66 mg/mL (200.5 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecolare: 329.170 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 327.952 Da
• Monoisotopic Mass: 327.952 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 402.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 292168-90-2, the molecular formula is C11H9BrN2O3S, and the molecular weight is 329.17 g/mol. InChIKey PYLYAEDUIKQBOT-XVNBXDOJSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.