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

CAS: 1129403-56-0 Cat. No.: A414065 Molecular Weight: 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

Overview

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

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-

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥95%

Product Properties

• ALogP: 5.119
• hba_count: 3
• HBD Count: 3
• Rotatable Bond: 9

Names and Identifiers

• Pubchem Sid: 504772359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772359
• Canonical 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
• 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)
• Isomeric 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
• Molecular Weight: 539.69
• Reaxy-Rn: 18996620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18996620&ln=

Chemical and Physical Properties

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