SYP-5 - 10mM in DMSO , CAS No.1384268-04-5

CAS: 1384268-04-5 Cat. No.: S421455 Fórmula: C₁₈H₁₆O₃S Peso molecular: 312.38 PubChem CID: 123131800

GRADE & PURITY 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

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

Targets

HIF-1

Specifications

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Pubchem Sid: 528767241
• Sonrisas canónicas: 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 molecular: 312.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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