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

CAS: 2059952-75-7 Cat. No.: S412567 Summenformel: C₂₈H₂₉NO₆ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

ALogP

4.986

HBD-Zahl

1

Rotationsfähige Bindung

10

Namen und Kennungen

Pubchem Sid

504773145

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773145

Kanonisches Lächeln

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+

Isomere 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

Molekulargewicht

475.53

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 95 mg/mL (199.77 mM); Ethanol: 5 mg/mL (10.51 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 95
• DMSO (mM) Maximale Löslichkeit: 199.777090824974
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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

Häufig gestellte Fragen

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 2059952-75-7, the molecular formula is C28H29NO6, and the molecular weight is 475.53 g/mol. InChIKey KOZAEBHIXYBHKA-FCXQYMQBSA-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.