SRT3190 - ≥99% , CAS No.1204707-73-2

CAS: 1204707-73-2 Cat. No.: S128077 Formule: C₁₈H₂₃F₂N₅O₄S₂ Poids moléculaire: 475.54 PubChem CID: 59149652

GRADE & PURITY ≥99%

Synonyms

AKOS030526316 | MS-28821 | 1204707-73-2 | N-(2-{[(2,3-Difluorophenyl)methyl]sulfanyl}-6-{[(2S,3R)-3,4-dihydroxybutan-2-yl]amino}pyrimidin-4-yl)azetidine-1-sulfonamide | HY-13021 | SRT3190 | N-(2-[(2,3-difluorobenzyl)thio]-6-{[(1S,2R)-2,3-dihydroxy-1-methy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AKOS030526316 | MS-28821 | 1204707-73-2 | N-(2-{[(2,3-Difluorophenyl)methyl]sulfanyl}-6-{[(2S,3R)-3,4-dihydroxybutan-2-yl]amino}pyrimidin-4-yl)azetidine-1-sulfonamide | HY-13021 | SRT3190 | N-(2-[(2,3-difluorobenzyl)thio]-6-{[(1S,2R)-2,3-dihydroxy-1-methy

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

SRT3190 is CXCR2 ligand.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
• IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2S,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
• InChIKey: QVKPEMXUBULFBM-FZMZJTMJSA-N
• INCHI: 1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14-/m0/s1
• Isomères SMILES: C[C@@H]([C@H](CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3
• PubChem CID: 59149652
• Poids moléculaire: 475.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Secondary alkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Sulfuric acid diamides Imidolactams Aryl fluorides Heteroaromatic compounds Secondary alcohols 1,2-diols Azetidines Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfuric acid diamide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Azetidine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO
• Poids moléculaire: 475.500 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 475.116 Da
• Monoisotopic Mass: 475.116 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Foire aux questions

How should this product be stored?

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

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 1204707-73-2, the molecular formula is C18H23F2N5O4S2, and the molecular weight is 475.54 g/mol. InChIKey QVKPEMXUBULFBM-FZMZJTMJSA-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.