SYP-5 - ≥98% , CAS No.1384268-04-5

CAS: 1384268-04-5 Cat. No.: S412816 Formula: C₁₈H₁₆O₃S Peso molecolare: 312.38 PubChem CID: 123131800

GRADE & PURITY ≥98%

Synonyms

2-​Propen-​1-​one,1-​(5-​hydroxy-​2,​2-​dimethyl-​2H-​1-​benzopyran-​6-​yl)​-​3-​(2-​thienyl)​-​,(2E)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2-​Propen-​1-​one,1-​(5-​hydroxy-​2,​2-​dimethyl-​2H-​1-​benzopyran-​6-​yl)​-​3-​(2-​thienyl)​-​,(2E)​-

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

SYP-5 is an inhibitor of Hypoxia-inducible factor-1 (HIF-1) that suppresses tumor cell migration and invasion, as well as tumor angiogenesis.

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: 504772989
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772989
• Sorrisi canonici: CC1(C=CC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=CS3)C
• IUPAC Name: (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-thiophen-2-ylprop-2-en-1-one
• InChIKey: OMVURDVBYIJCOI-FNORWQNLSA-N
• INCHI: 1S/C18H16O3S/c1-18(2)10-9-14-16(21-18)8-6-13(17(14)20)15(19)7-5-12-4-3-11-22-12/h3-11,20H,1-2H3/b7-5+
• PubChem CID: 123131800
• Peso molecolare: 312.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,2-dimethyl-1-benzopyrans
• Alternative Parents: Aryl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Oxacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,2-dimethyl-1-benzopyran - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 62 mg/mL (198.47 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecolare: 312.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 312.082 Da
• Monoisotopic Mass: 312.082 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 483.000
• 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