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ASP3026

CAT: 0013-GTR19173272-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173272-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP3026 is a small molecule inhibitor under investigation for the treatment of advanced solid tumors and lymphomas, particularly those driven by ALK or ROS1 alterations. It is utilized in preclinical research to study oncogenic signaling pathways and has demonstrated activity in both in vitro cellular assays and in vivo xenograft models.
CAS Number
1097917-15-1
Product Name Alternative
Inhibit, Inhibitor, Cluster of differentiation 246, CD246, ALK, ALK tyrosine kinase receptor, ASP 3026, ASP3026, ASP-3026, Apoptosis, Anaplastic lymphoma kinase (ALK), Anaplastic lymphoma kinase
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry, Signal Transduction, Stem Cell & Developmental Biology
Purity
≥95% (May vary between batches)
Solubility
DMSO:11.6 mg/mL (19.97 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.44 mM)
Smiles
COc1cc (ccc1Nc1ncnc (Nc2ccccc2S (=O) (=O) C (C) C) n1) N1CCC (CC1) N1CCN (C) CC1
Molecular Formula
C29H40N8O3S
Molecular Weight
580.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Asp-3026

ASP-3026 is a member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. It has a role as an EC 6.1.1.6 (lysine--tRNA ligase) inhibitor, an antineoplastic agent, an antimalarial, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a monomethoxybenzene, a member of piperidines, an aromatic amine, a sulfone, a diamino-1,3,5-triazine, a N-methylpiperazine and a secondary amino compound.

CAS Number1097917-15-1
PubChem CID25134326
IUPAC Name2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
Molecular FormulaC29H40N8O3S
Molecular Weight580.7
XLogP4.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity904
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
InChI
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)
InChIKey
MGGBYMDAPCCKCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asp-3026
CAS: 1097917-15-1
CID: 25134326
Formula: C29H40N8O3S
MW: 580.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.7
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass580.29440834
Monoisotopic Mass580.29440834
Topological Polar Surface Area124 Ų
Heavy Atom Count41
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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A3193-200ASP3026
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A11773-50ASP3026 50mg
A11773-25ASP3026 25mg
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A11773-100ASP3026 100mg
A11773-10ASP3026 10mg
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