MedKoo Biosciences

ASP-3026
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WARNING: This product is for research use only, not for human or veterinary use.

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

ASP-3026

CAS# 1097917-15-1

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 204450
Name: ASP-3026
CAS#: 1097917-15-1
Chemical Formula: C29H40N8O3S
Exact Mass: 580.29
Molecular Weight: 580.740
Elemental Analysis: C, 59.98; H, 6.94; N, 19.29; O, 8.26; S, 5.52

Price and Availability

Size	Price	Availability
5mg	USD 150	Ready to ship
10mg	USD 250	Ready to ship
25mg	USD 450	Ready to ship
50mg	USD 750	Ready to ship
100mg	USD 1350	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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

More Info: ASP-3026 is an ALK inhibitor.

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot#: C20R02B20

QC Data:

View QC data: current batch, Lot#: C20R02B20

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

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.

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

Formulation protocol:
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.

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