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

CAS: 1129403-56-0 Cat. No.: A414065 Formule: C₃₁H₃₃N₅O₂S Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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-

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥95%

Propriétés du produit

ALogP

5.119

hba_count

3

Nombre de HBD

3

Liaison rotative

9

Noms et identifiants

Pubchem Sid

504772359

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772359

Sourires canoniques

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)

Isomères 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

Poids moléculaire

539.69

Reaxy-Rn

18996620

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18996620&ln=

Propriétés chimiques et physiques

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