CLK-IN-T3 - Moligand™, ≥98% , CAS No.2109805-56-1

CAS: 2109805-56-1 Cat. No.: C647820 Formula: C₂₈H₃₀N₆O₂ Peso molecolare: 482.58

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-(2-Methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl)-N-(6-(pyridin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide, 4-[1,1-Dimethyl-2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[6-(4-pyridinyl)imidazo[1,2-a]pyridin-2-yl]benzamide | 4-(2-Methyl-1-(4-methylpipera

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

CLK-IN-T3 is a high potent, selective, and stable CDC-like kinase (CLK) inhibitor with IC50s of 0.67 nM, 15 nM, and 110 nM for CLK1, CLK2, and CLK3 protein kinases, respectively. CLK-IN-T3 has anti-cancer activity.

Specifications

Sinonimi

4-(2-Methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl)-N-(6-(pyridin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide, 4-[1,1-Dimethyl-2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-[6-(4-pyridinyl)imidazo[1,2-a]pyridin-2-yl]benzamide | 4-(2-Methyl-1-(4-methylpipera

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

CLK-IN-T3 is a high potent, selective, and stable CDC-like kinase (CLK) inhibitor with IC 50 s of 0.67 nM, 15 nM, and 110 nM for CLK1, CLK2, and CLK3 protein kinases, respectively. CLK-IN-T3 has anti-cancer activity.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CC(C)(C1=CC=C(C=C1)C(=O)NC2=CN3C=C(C=CC3=N2)C4=CC=NC=C4)C(=O)N5CCN(CC5)C
• IUPAC Name: 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide
• InChIKey: IEFFSHLHNYVSEF-UHFFFAOYSA-N
• INCHI: 1S/C28H30N6O2/c1-28(2,27(36)33-16-14-32(3)15-17-33)23-7-4-21(5-8-23)26(35)31-24-19-34-18-22(6-9-25(34)30-24)20-10-12-29-13-11-20/h4-13,18-19H,14-17H2,1-3H3,(H,31,35)
• Isomeri SMILES: CC(C)(C1=CC=C(C=C1)C(=O)NC2=CN3C=C(C=CC3=N2)C4=CC=NC=C4)C(=O)N5CCN(CC5)C
• Peso molecolare: 482.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Phenylacetamides Phenylpropanes Imidazopyridines Imidazo[1,2-a]pyridines Benzamides Benzoyl derivatives N-methylpiperazines N-substituted imidazoles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - Phenylacetamide - Imidazo[1,2-a]pyridine - Phenylpropane - Imidazopyridine - Benzoic acid or derivatives - Benzamide - Benzoyl - N-alkylpiperazine - N-methylpiperazine - Imidolactam - Benzenoid - Piperazine - N-substituted imidazole - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

Discover Target: HRH2

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

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HTR1D Tclin Serotonin 1d (5-HT1d) receptor (2897 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

Discover Target: HTR1B

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

Discover Target: HTR3A

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

Discover Target: ERBB2

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PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

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CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

Discover Target: CHRM4

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CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)

Discover Target: ADRA2B

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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)

Discover Target: ADRA2C

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CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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DRD5 Tchem Dopamine D5 receptor (1597 Activities)

Discover Target: DRD5

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ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)

Discover Target: ADRB3

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

Discover Target: KIT

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MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (650 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

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HTR1E Tchem Serotonin 1e (5-HT1e) receptor (696 Activities)

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HTR5A Tchem Serotonin 5a (5-HT5a) receptor (1433 Activities)

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Obiettivi associati (non umani)

Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Hrh4 Histamine H4 receptor (388 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 4.83 mg/mL (10.01 mM; Need ultrasonic and warming)
• Sensibilità: light & Moisture sensitive
• Peso molecolare: 482.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 482.243 Da
• Monoisotopic Mass: 482.243 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 768.000
• 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