ALK-IN-1 (Brigatinib analog, AP26113 analog)

Catalog No. A11948

AP26113是一种有效的，选择性的ALK抑制剂，对野生型的功效为0.62 nM，对包括crizotinib耐药的L1196M系在内的多种突变体的活性也很强。在一组EML4-ALK或NPM-ALK阳性细胞系中，AP26113的IC50值为4-31 nM。

Technical details

Catalog Num	A11948
M. Wt	529.01
Formula	C26H34ClN6O2P
Purity	>98%
Storage	at -20°C 3 years Powder
CAS No.	1197958-12-5
Synonyms	AP-26113
SMILES	CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC

Biological Activity

Targets

Target	Value
ALK	IC50: 0.62nM
FER	IC50: 1.3nM
ROS/ROS1	IC50: 1.9nM
FLT3	IC50: 2.1nM
FES/FPS	IC50: 3.4nM
FAK/PTK2	IC50: 3.8nM
BRK	IC50: 4.1nM
STK22D	IC50: 4.3nM
Chk2	IC50: 6.5nM
RSK2	IC50: 13nM
TYK/LTK	IC50: 13nM
YES	IC50: 19nM
PYK2	IC50: 24nM
ErbB4	IC50: 27nM
CLK1	IC50: 29nM
CaMKIId	IC50: 29nM
Chk1	IC50: 30nM
RSK1	IC50: 30nM
RSK4	IC50: 42nM
IRR/INSRR	IC50: 45nM
IGF-1R	IC50: 46nM
ARK5	IC50: 47nM
CaMKIIg	IC50: 48nM
LRRK2	IC50: 51nM
FRK	IC50: 52nM
FLT4	IC50: 58nM
RET	IC50: 65nM
CaMKK2	IC50: 83nM
MARK2	IC50: 94nM
PKCnu	IC50: 95nM
PHKg2	IC50: 108nM
LOK/STK10	IC50: 123nM
BRSK2	IC50: 125nM
MARK3	IC50: 127nM
MARK1	IC50: 127nM
FGFR1	IC50: 128nM
EGFR	IC50: 129nM
BLK	IC50: 136nM
TSSK2	IC50: 138nM
AuroraA	IC50: 146nM
JAK2	IC50: 154nM
FGFR4	IC50: 181nM
PKCmu/PKD1	IC50: 197nM
Fyn	IC50: 198nM
Hck	IC50: 198nM
MLK1/MAP3K9	IC50: 218nM
FGFR2	IC50: 228nM
CLK2	IC50: 240nM
Lyn	IC50: 241nM
PKD2/PRKD2	IC50: 285nM
c-Src	IC50: 329nM
BRSK1	IC50: 338nM
FGFR3	IC50: 358nM
Fms	IC50: 358nM
Insulin Receptor	IC50: 395nM
SIK2/SNF1LK2/QIK	IC50: 466nM
FGR	IC50: 491nM
TAOK1	IC50: 492nM
Abl1	IC50: 500nM
LCK	IC50: 512nM
PLK1	IC50: 611nM
BTK	IC50: 673nM[null]

Solubility *

In vitro (25°C)	DMSO	40 mg/mL (75.61 mM)
	Water	Insoluble
	Ethanol	93 mg/mL (175.8 mM)
In vivo	NMP+PEG300 (10+90, v+v)	28 mg/mL
* <1 mg/ml means slightly soluble or insoluble. * Please note that Adooq tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations.

Preparing Stock Solutions

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
0.1 mM	18.9 mL	94.52 mL	189.03 mL
0.5 mM	3.78 mL	18.9 mL	37.81 mL
1 mM	1.89 mL	9.45 mL	18.9 mL
5 mM	0.38 mL	1.89 mL	3.78 mL

*The above data is based on the productmolecular weight 529.01. Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.

References

1. Shiao et al., Anaplastic Lymphoma Kinase (ALK) Inhibitors: New Cancer Breakthroughs for Lung Cancer, J. Cancer. Res. Pract. 2011, 27(4), 143-156.
2. Rivera et al., Efficacy and pharmacodynamic analysis of AP26113, a potent and selective orally active inhibitor of Anaplastic Lymphoma Kinase (ALK). Cancer Res. 2010, 70(8), Suppl 1., AACR 101st Annual Meeting 2010.
3. Katayama et al., Therapeutic strategies to overcome crizotinib resistance in non-small cell lung cancers harboring the fusion oncogene EML4-ALK. Proc. Natl. Acad. Sci. 2011, 108(18), 7535-7540. Pubmed ID: 21502504