Zongertinib - Moligand™, ≥98% , Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2, CAS No.2728667-27-2, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2

CAS: 2728667-27-2 Cat. No.: Z614983 Formula: C₂₉H₂₉N₉O₂ Peso molecolare: 535.60 Numero EC: 884-819-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

EX-A8033 | HY-148810 | Zongertinib | DRH7R67UVL | example I-01 [WO2021213800A1] | N-[1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]prop-2-enamide | GTPL12387 | SCHEMBL23957509 | N-[1-(8-{3-methyl-4-[(1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Zongertinib is a human HER2-selective tyrosine kinase inhibitor, a novel TK that is highly selective for covalent binding to the HER2 tyrosine kinase domain (TKD).Zongertinib exhibits antitumor activity with inhibitory effects on pHER2 and EGF.

Specifications

Sinonimi

EX-A8033 | HY-148810 | Zongertinib | DRH7R67UVL | example I-01 [WO2021213800A1] | N-[1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]prop-2-enamide | GTPL12387 | SCHEMBL23957509 | N-[1-(8-{3-methyl-4-[(1

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

Cc1c(ccc(c1)Nc1ncnc2cnc(nc12)N1CCC(CC1)NC(=O)C=C)Oc1cc2c(cc1)n(cn2)C

IUPAC Name

N-[1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]prop-2-enamide

InChIKey

YSGNGFPNTLERCR-UHFFFAOYSA-N

INCHI

1S/C29H29N9O2/c1-4-26(39)34-19-9-11-38(12-10-19)29-30-15-23-27(36-29)28(32-16-31-23)35-20-5-8-25(18(2)13-20)40-21-6-7-24-22(14-21)33-17-37(24)3/h4-8,13-17,19H,1,9-12H2,2-3H3,(H,34,39)(H,31,32,35)

Isomeri SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)NC(=O)C=C)OC5=CC6=C(C=C5)N(C=N6)C

Peso molecolare

535.60

Obiettivi associati (umani)

ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 (0 Activities)

Discover Target: ERBB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor (0 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Proprietà chimiche e fisiche

• Sensibilità: DMSO: 45.91 mg/mL (85.72 mM)
• Peso molecolare: 535.600 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 535.244 Da
• Monoisotopic Mass: 535.244 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 870.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1