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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A128022-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$9.90
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A128022-5mg
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5mg |
3
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$28.90
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A128022-25mg
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25mg |
3
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$118.90
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A128022-100mg
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100mg |
2
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$395.90
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Potent anaplastic lymphoma kinase (ALK) inhibitor; also potent ACK inhibitor
| Synonyms | F6O | SMR004702945 | UNII-HP4L6MXF10 | XTB91715 | NCGC00345791-01 | N2-(2-(isopropylsulfonyl)phenyl)-N4-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-1,3,5-triazine-2,4-diamine | CCG-270132 | NSC765865 | NSC-765865 | CHEBI:167650 | N(2)-[ |
|---|---|
| Specifications & Purity | Moligand™, ≥98% |
| Biochemical and Physiological Mechanisms | Potent anaplastic lymphoma kinase (ALK) inhibitor (IC50= 3.5 nM). Also inhibits Ack and ROS1 activity (IC50values are 5.8 and 8.9 nM respectively). Attenuates proliferation, and induces apoptosis of NPM-ALK+T cell anaplastic large-cell lymphoma (ALCL) cel |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | ALK tyrosine kinase receptor inhibitor |
| Product Description |
ASP3026 is a novel and selective inhibitor for ALK with IC50 of 3.5 nM. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds 1,3,5-triazine-2,4-diamines Methoxybenzenes Anisoles Dialkylarylamines N-methylpiperazines Alkyl aryl ethers Aminopiperidines 1,3,5-triazines Heteroaromatic compounds Sulfones Trialkylamines Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Methoxyaniline - Benzenesulfonyl group - Aminophenyl ether - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - 2,4-diamine-s-triazine - 4-aminopiperidine - Amino-1,3,5-triazine - Aminotriazine - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,3,5-triazine - 1,4-diazinane - Piperazine - Monocyclic benzene moiety - Triazine - Benzenoid - Sulfonyl - Sulfone - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Secondary amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
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| ALogP | 4.8 |
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| IUPAC Name | 2-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 |
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| 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 |
| 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 |
| Isomeric 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 |
| Molecular Weight | 580.74 |
| Reaxy-Rn | 20102809 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20102809&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 01, 2024 | A128022 | |
| Certificate of Analysis | Jan 03, 2024 | A128022 | |
| Certificate of Analysis | Nov 16, 2022 | A128022 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 11.61, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 580.700 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 580.294 Da |
| Monoisotopic Mass | 580.294 Da |
| Topological Polar Surface Area | 124.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 904.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |