STAT3-IN-1 - ≥98% , CAS No.2059952-75-7

CAS: 2059952-75-7 Cat. No.: S412567 Peso molecular: 475.53 PubChem CID: 134130166

GRADE & PURITY ≥98%

Synonyms

2-​Propenamide,N-​[4-​[(1E)​-​2-​(3,​5-​dimethoxyphenyl)​ethenyl]​phenyl]​-​3-​(3,​4,​5-​trimethoxyphenyl)​-​,(2E)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

STAT3-IN-1 (compound 7d) is an excellent, selective and orally active inhibitor ofSTAT3with IC50 of 1.82 μM and 2.14 μM in HT29 and MDA-MB 231 cells, respectively. STAT3-IN-1 inducesapoptosisof tumor cells.

Targets

STAT3 (in HT29 cells); STAT3 (in MDA-MB 231 cells) 1.82 μM; 2.14 μM

Specifications

Sinónimos

2-​Propenamide, N-​[4-​[(1E)​-​2-​(3, ​5-​dimethoxyphenyl)​ethenyl]​phenyl]​-​3-​(3, ​4, ​5-​trimethoxyphenyl)​-​, (2E)​-

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

STAT3-IN-1 (compound 7d) is an excellent, selective and orally active inhibitor of STAT3 with IC50 of 1.82 μM and 2.14 μM in HT29 and MDA-MB 231 cells, respectively. STAT3-IN-1 induces apoptosis of tumor cells.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: 4.986
• Recuento HBD: 1
• Enlace rotable: 10

Nombres e identificadores

• Pubchem Sid: 504773145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773145
• Sonrisas canónicas: COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC
• IUPAC Name: (E)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
• InChIKey: KOZAEBHIXYBHKA-FCXQYMQBSA-N
• INCHI: 1S/C28H29NO6/c1-31-23-14-20(15-24(18-23)32-2)7-6-19-8-11-22(12-9-19)29-27(30)13-10-21-16-25(33-3)28(35-5)26(17-21)34-4/h6-18H,1-5H3,(H,29,30)/b7-6+,13-10+
• Isómeros SMILES: COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC
• PubChem CID: 134130166
• Peso molecular: 475.53

Objetivos asociados (humanos)

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-231 (73002 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 95 mg/mL (199.77 mM); Ethanol: 5 mg/mL (10.51 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 95
• DMSO (mM) Solubilidad máxima: 199.777090824974
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 475.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 475.199 Da
• Monoisotopic Mass: 475.199 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1