BGC > CAS Search > 1197953-54-0

Molecular Formula: C29H39ClN7O2P
Molecular Weight: 584.092421

Molecular Formula: C29H39ClN7O2P
Molecular Weight: 584.092421

Molecular Formula: C29H39ClN7O2P
Molecular Weight: 584.092421

Molecular Formula: C29H39ClN7O2P
Molecular Weight: 584.092421

Description :
Brigatinib, also known as AP-26113, is an orally active, potent and selective dual ALK/EGFR inhibitor. AP26113 is an orally bioavailable inhibitor of anaplastic lymphoma kinase (ALK; IC50 < 100 nM in Ba/F3 cells). AP26113 binds to and inhibits ALK kinase and ALK fusion proteins as well as EGFR and mutant forms. It blocks ALK activity and reduces growth in neuroblastoma cells, mouse xenograft, and Drosophila model systems harboring constitutively active ALK variants.

• Molecular Weight :584.10
• Purity :≥98%

Molecular Formula :
C29H39ClN7O2P
Canonical SMILES :
COC1=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3P(C)(C)=O)=N2)C=CC(N4CCC(N5CCN(C)CC5)CC4)=C1
InChI :
InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
InChIKey :
AILRADAXUVEEIR-UHFFFAOYSA-N
Appearance :
Solid Powder
Synonyms :
AP26113

More details are to be found here

Purity : 98%
Smile code : CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)CC1
MDL Number : MFCD29472221
MolFormula : C29H39ClN7O2P
MolWeight : 584.0924
Available in stock : 60.582

More details are to be found here

Smile code:
CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)CC1
MDL Number:
MFCD29472221
Purity :
98%
Available in stock:
59.051 g

More details are to be found here

Smile code:
CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)CC1
MDL Number:
MFCD29472221
Purity :
98%
Available in stock:
59.051 g

More details are to be found here