MLT-748 - ≥99% , CAS No.1832578-30-9

CAS: 1832578-30-9 Cat. No.: M414254 分子式: C₁₉H₁₉Cl₂N₉O₃ 分子量: 492.32 PubChem CID: 129072285

グレード＆純度 ≥99%

Synonyms

Urea,N-​[2-​chloro-​7-​[(1R,​2R)​-​1,​2-​dimethoxypropyl]​pyrazolo[1,​5-​a]​pyrimidin-​6-​yl]​-​N'-​[5-​chloro-​6-​(2H-​1,​2,​3-​triazol-​2-​yl)​-​3-​pyridinyl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

MLT-748 MLT-748 is a potent, selective and allosteric inhibitor of MALT1 with IC50 of 5 nM, binding at the interface between the caspase and immunoglobulin (Ig3) domains by displacing Trp580 and locking the catalytic site in an inactive state.

Targets

MALT1 (Cell-free assay) 5 nM

In vitro

MLT-748 binds MALT1 in the allosteric Trp580 pocket. MLT-748 binds and stabilizes mutant MALT1-W580S. Cleavage of MALT1 substrates is blocked by MLT-748 in B and T cells. MLT-748 rescues MALT1 function in patient MALT1^mut/mut lymphocytes.

Cell Research(from reference)

Cell lines：Immortalized B cells, human PBMCs, primary human CD3+ T cells, primary CD4+ lymphocytes 

Concentrations：2 μM 

Incubation Time：24 h 

仕様

同義語

Urea,N-​[2-​chloro-​7-​[(1R,​2R)​-​1,​2-​dimethoxypropyl]​pyrazolo[1,​5-​a]​pyrimidin-​6-​yl]​-​N'-​[5-​chloro-​6-​(2H-​1,​2,​3-​triazol-​2-​yl)​-​3-​pyridinyl]​-

仕様と純度

≥99%

生化学的・生理学的メカニズム

MLT-748 is a potent, selective and allosteric inhibitor of MALT1 with IC50 of 5 nM, binding at the interface between the caspase and immunoglobulin (Ig3) domains by displacing Trp580 and locking the catalytic site in an inactive state.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

パブケム・シド

528765543

カノニカル・スマイル

CC(C(C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)OC)OC

IUPAC Name

1-[2-chloro-7-[(1R,2R)-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]urea

InChIKey

XKQLNDPUQSZBJW-QGHHPUGFSA-N

INCHI

1S/C19H19Cl2N9O3/c1-10(32-2)17(33-3)16-13(9-22-15-7-14(21)28-29(15)16)27-19(31)26-11-6-12(20)18(23-8-11)30-24-4-5-25-30/h4-10,17H,1-3H3,(H2,26,27,31)/t10-,17+/m1/s1

PubChem CID

129072285

分子量

492.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,3-triazoles
• Alternative Parents: Pyrazolo[1,5-a]pyrimidines Pyrimidines and pyrimidine derivatives Aryl chlorides Triazoles Pyrazoles Heteroaromatic compounds Ureas Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridyl-1,2,3-triazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - 1,2,3-triazole - Triazole - Pyrazole - Azole - Urea - Carbonic acid derivative - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridyl-1,2,3-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,3-triazole ring.
• 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 98 mg/mL (199.05 mM); Ethanol: 10 mg/mL (20.31 mM); Water: Insoluble
• 分子量: 492.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 491.099 Da
• Monoisotopic Mass: 491.099 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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