5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine

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Compound number:
MolPort-044-561-640
CAS number: 1197953-54-0
IUPAC:
5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
IUPAC traditional:
brigatinib
SMILES:
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
InChI key:
AILRADAXUVEEIR-UHFFFAOYSA-N
Molecular formula:
C29H39ClN7O2P
Molecular weight: 584.1
Solubility: not available

This compound is a controlled substance and therefore can not be bought through MolPort!

More Information

Compound Identifiers
Compound number: MolPort-044-561-640
CAS number: 1197953-54-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000148723177
MFCD29472221
2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-
5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2,4-pyrimidinediamine
5-Chloro-N4-(2-(dimethylphosphoryl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine
5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
AP 26113 Alunbrig
AP-26113
AP26113
Brigatinib
Brigatinib (AP26113)

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)
InChI key: AILRADAXUVEEIR-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C29H39ClN7O2P
Molecular weight: 584.1

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2020 MolPort, v3.59, release date 07-04-2020 12:00 (+0200). All rights reserved.
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