ASP-3026
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MedKoo CAT#: 204450

CAS#: 1097917-15-1

Description: ASP3026 is a novel and selective inhibitor for the ALK kinase. ASP3026 potently inhibited ALK kinase activity and was more selective than crizotinib in a Tyr-kinase panel. In an anchorage independent in vitro cell growth assay, ASP3026 inhibited the growth of NCI-H2228, a human NSCLC tumor cell line endogenously expressing EML4-ALK variant 3 and that of 3T3 cells expressing EML4-ALK variant 1, 2 and 3. The plasma and tumor concentrations of ASP3026 in mice xenografted with NCI-H2228 tumor were determined using high-performance liquid chromatography-tandem mass spectrometry. Significant tumor penetration was observed.


Chemical Structure

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ASP-3026
CAS# 1097917-15-1

Theoretical Analysis

MedKoo Cat#: 204450
Name: ASP-3026
CAS#: 1097917-15-1
Chemical Formula: C29H40N8O3S
Exact Mass: 580.29441
Molecular Weight: 580.74
Elemental Analysis: C, 59.98; H, 6.94; N, 19.29; O, 8.26; S, 5.52

Price and Availability

Size Price Availability Quantity
50.0mg USD 450.0 Same day
100.0mg USD 750.0 Same day
200.0mg USD 1250.0 Same day
500.0mg USD 1950.0 Same day
1.0g USD 2950.0 Same day
2.0g USD 4650.0 2 weeks
Bulk inquiry

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

Appearance: Solid powder

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

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 20.0 34.44

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.

Recalculate based on batch purity %
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.

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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.

ASP-3026

50.0mg / USD 450.0


Additional Information

ASP-3026 is an ALK inhibitor.