AZD4604 - Moligand™, ≥98% , Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2, CAS No.2241039-81-4, Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2

CAS: 2241039-81-4 Cat. No.: A607868 Molecular Weight: 599.65 EC Number: 882-805-4 PubChem CID: 135240395

GRADE & PURITY Moligand™, ≥98%

Synonyms

JAK1-IN-7 | Londamocitinib

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Londamocitinib (JAK1-IN-7) is a selective and potent JAK1 inhibitor with anti-inflammatory activity.

Specifications

Synonyms

JAK1-IN-7 | Londamocitinib

Specifications & Purity

Moligand™, ≥98%

Storage

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

Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C(COC)C(=O)NC2=CC=CC3=C2NC=C3C4=NC(=NC=C4F)NC5=C(C(=CC=C5)S(=O)(=O)C)F
• IUPAC Name: (2R)-N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
• InChIKey: JNUZADQZHYFJGW-JOCHJYFZSA-N
• INCHI: 1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1
• Isomeric SMILES: CN1CCN(CC1)[C@H](COC)C(=O)NC2=CC=CC3=C2NC=C3C4=NC(=NC=C4F)NC5=C(C(=CC=C5)S(=O)(=O)C)F
• Alternate CAS: 2241039-81-4
• PubChem CID: 135240395
• Molecular Weight: 599.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: N-piperazineacetamides Methoxyanilines Indoles N-arylamides N-methylpiperazines Halopyrimidines Fluorobenzenes Substituted pyrroles Sulfones Secondary ketimines Heteroaromatic compounds Trialkylamines Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Dialkylamines Dialkyl ethers Carboxylic acid amides Carboximidamides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - N-piperazineacetamide - Methoxyaniline - Indole or derivatives - Indole - N-arylamide - N-alkylpiperazine - N-methylpiperazine - Halopyrimidine - Halobenzene - Fluorobenzene - Benzenoid - Substituted pyrrole - Pyrimidine - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Secondary ketimine - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Associated Targets(Human)

JAK1 Tclin Tyrosine-protein kinase JAK1 (0 Activities)

Discover Target: JAK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

JAK2 Tclin Tyrosine-protein kinase JAK2 (0 Activities)

Discover Target: JAK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 599.700 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 599.213 Da
• Monoisotopic Mass: 599.213 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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