Amcasertib (BBI503) - Moligand™, ≥95% , CAS No.1129403-56-0

CAS: 1129403-56-0 Cat. No.: A414065 Summenformel: C₃₁H₃₃N₅O₂S Molekulargewicht: 539.69

GRADE & PURITY Moligand™, ≥95%

Synonyms

1H-Pyrrole-3-carboxamide | N-​[2-​(diethylamino)​ethyl]​-​5-​[[1,​2-​dihydro-​2-​oxo-​5-​(2-​phenyl-​4-​thiazolyl)​-​3H-​indol-​3-​ylidene]​methyl]​-​2,​4-​dimethyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Amcasertib (BBI503) Amcasertib (BBI503), a first-in-class cancer stemness kinase inhibitor, is claimed to inhibit Nanog and other CSC pathways by targeting kinases with potential anticancer activity.

Targets

Nanog

In vitro

BBI-503 is orally-administered compound, which is designed to target CSC pathways in multiple tumour types.

In vivo

BBI503 inhibits Nanog and other cancer stem cell pathways by targeting kinases, and shows encouraging early signs of anti-cancer activity for patients with advanced colorectal cancer.

Specifications

Synonyme

1H-Pyrrole-3-carboxamide | N-​[2-​(diethylamino)​ethyl]​-​5-​[[1,​2-​dihydro-​2-​oxo-​5-​(2-​phenyl-​4-​thiazolyl)​-​3H-​indol-​3-​ylidene]​methyl]​-​2,​4-​dimethyl-

Spezifikationen & Reinheit

Moligand™, ≥95%

Biochemische und physiologische Mechanismen

Amcasertib (BBI503), a first-in-class cancer stemness kinase inhibitor, is claimed to inhibit Nanog and other CSC pathways by targeting kinases with potential anticancer activity.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥95%

Produkteigenschaften

• ALogP: 5.119
• hba_count: 3
• HBD-Zahl: 3
• Rotationsfähige Bindung: 9

Namen und Kennungen

• Pubchem Sid: 504772359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772359
• Kanonisches Lächeln: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5)NC2=O)C
• IUPAC Name: N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• InChIKey: QDWKGEFGLQMDAM-UHFFFAOYSA-N
• INCHI: 1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)
• Isomere SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5)NC2=O)C
• Molekulargewicht: 539.69
• Reaxy-Rn: 18996620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18996620&ln=

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 14 mg/mL (25.94 mM); Ethanol: 1 mg/mL (1.85 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 14
• DMSO (mM) Maximale Löslichkeit: 25.94081788
• Wasser (mg/ml) Maximale Löslichkeit: ＜1