CZC-25146 hydrochloride - ≥98% , CAS No.1330003-04-7

CAS: 1330003-04-7 Cat. No.: C412508 Molecular Weight: 525.00 EC Number: 802-895-0 PubChem CID: 72193880

GRADE & PURITY ≥98%

Synonyms

CZC-25146(hydrochloride) | 1330003-04-7 | N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride | AKOS030526410 | CZC-25146 (hydrochloride) | CZC-25146.HCl | BCP09557 | CZC-25146 HCl | CZC-25146

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description
CZC-25146 hydrochloride is a potent LRRK2 inhibitor with IC50 values of 4.76 nM and 6.87 nM for wild-type LRRK2 and G2019S LRRK2, respectively. CZC-25146 hydrochloride inhibits PLK4, GAK, TNK1, CAMKK2 and PIP4K2C as well. CZC-25146 hydrochloride prevents mutant LRRK2-induced injury of neurons in vitro. CZC-25146 hydrochloride exhibits relatively favorable pharmacokinetic properties in mice. CZC-25146 hydrochloride can increase normal α-1-antitrypsin (AAT) secretion and reduce inflammatory cytokines. CZC-25146 hydrochloride can be used to research Parkinson's disease and liver diseases。

Specifications

Synonyms

CZC-25146(hydrochloride) | 1330003-04-7 | N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride | AKOS030526410 | CZC-25146 (hydrochloride) | CZC-25146.HCl | BCP09557 | CZC-25146 HCl | CZC-25146

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

CZC-25146 hydrochloride is a potent, selective and metabolically stable LRRK2 inhibitor with IC50 of 4.76 nM and 6.87 nM for wild type LRRK2 and G2019S LRRK2, respectively.

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.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F.Cl
• IUPAC Name: N-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride
• InChIKey: SKYQTYQDKAOHLP-UHFFFAOYSA-N
• INCHI: 1S/C22H25FN6O4S.ClH/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31;/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27);1H
• Isomeric SMILES: COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F.Cl
• WGK Germany: 3
• PubChem CID: 72193880
• Molecular Weight: 525.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Sulfanilides Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Halopyrimidines Aminopyrimidines and derivatives Aryl fluorides Organosulfonamides Organic sulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Sulfanilide - Methoxyaniline - Aminophenyl ether - Anisole - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Aminopyrimidine - Alkyl aryl ether - Halopyrimidine - Imidolactam - Benzenoid - Aryl halide - Pyrimidine - Aryl fluoride - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Hydrochloride - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Chemical and Physical Properties

• Molecular Weight: 525.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 524.141 Da
• Monoisotopic Mass: 524.141 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 737.000
• 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: 2

XLogP3