Synonym
ASP3026; ASP-3026; ASP 3026.
IUPAC/Chemical Name
N2-[2-Methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine
InChi Key
MGGBYMDAPCCKCT-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)
SMILES Code
O=S(C1=CC=CC=C1NC2=NC=NC(NC3=CC=C(N4CCC(N5CCN(C)CC5)CC4)C=C3OC)=N2)(C(C)C)=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
ASP-3026 is an ALK inhibitor.
Biological target:
ASP3026 is a novel and selective inhibitor for ALK with IC50 of 3.5 nM.
In vitro activity:
Treatment with ASP3026 alone did not significantly modify annexin-V-binding or forward scatter. Energy depletion, oxidative stress and ionomycin, all markedly and significantly increased the percentage of annexin-V-binding erythrocytes, and decreased the forward scatter. ASP3026 significantly blunted the effect of energy depletion and oxidative stress, but not of ionomycin on annexin-V-binding. ASP3026 did not significantly influence the effect of any maneuver on forward scatter.
Reference: Cell Physiol Biochem. 2017;43(2):507-517. https://www.karger.com/?DOI=10.1159/000480477
In vivo activity:
The antitumor activity of 14a was evaluated in mice xenografted with NCI-H2228, a human NSCLC tumor cell endogenously expressing EML4-ALK (Fig. 4). Compound 14a inhibited the growth of NCI-H2228 cells with an IC50 value of 65 nM.) Once-daily oral administration of 14a demonstrated tumor growth inhibition at doses of 0.3 mg/kg (4% inhibition) and 1 mg/kg (69% inhibition), and tumor regression at doses of 3 mg/kg (4% regression), 10 mg/kg (45% regression), and 30 mg/kg (78% regression) in a dose-dependent manner. Body weight was not affected by 14a at the doses used in this experiment.)
Reference: Chem Pharm Bull (Tokyo). 2018;66(3):251-262. https://doi.org/10.1248/cpb.c17-00784
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
20.0 |
34.44 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
580.74
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
In vitro protocol:
1. Al Mamun Bhuyan A, Bissinger R, Cao H, Lang F. Inhibition of Erythrocyte Cell Membrane Scrambling by ASP3026. Cell Physiol Biochem. 2017;43(2):507-517. doi: 10.1159/000480477. Epub 2017 Sep 20. PMID: 28930717.
In vivo protocol:
1. Iikubo K, Kondoh Y, Shimada I, Matsuya T, Mori K, Ueno Y, Okada M. Discovery of N-{2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propane-2-sulfonyl)phenyl]-1,3,5-triazine-2,4-diamine (ASP3026), a Potent and Selective Anaplastic Lymphoma Kinase (ALK) Inhibitor. Chem Pharm Bull (Tokyo). 2018;66(3):251-262. doi: 10.1248/cpb.c17-00784. PMID: 29491259.
1: Awad MM, Shaw AT. ALK Inhibitors in Non-Small Cell Lung Cancer: Crizotinib and Beyond. Clin Adv Hematol Oncol. 2014 Jul;12(7):429-39. PubMed PMID: 25322323.
2: George SK, Vishwamitra D, Manshouri R, Shi P, Amin HM. The ALK inhibitor ASP3026 eradicates NPM-ALK⁺ T-cell anaplastic large-cell lymphoma in vitro and in a systemic xenograft lymphoma model. Oncotarget. 2014 Jul 30;5(14):5750-63. PubMed PMID: 25026277; PubMed Central PMCID: PMC4170597.
3: Mori M, Ueno Y, Konagai S, Fushiki H, Shimada I, Kondoh Y, Saito R, Mori K, Shindou N, Soga T, Sakagami H, Furutani T, Doihara H, Kudoh M, Kuromitsu S. The selective anaplastic lymphoma receptor tyrosine kinase inhibitor ASP3026 induces tumor regression and prolongs survival in non-small cell lung cancer model mice. Mol Cancer Ther. 2014 Feb;13(2):329-40. doi: 10.1158/1535-7163.MCT-13-0395. Epub 2014 Jan 13. PubMed PMID: 24419060.
