F-1 - ≥98% , CAS No.2244775-31-1

CAS: 2244775-31-1 Cat. No.: F412387 Molecular Weight: 519.02

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

F-1 is a potent dual inhibitor of ALK and ROS1 that suppresses phospho-ALK and its relative downstream signaling pathways with IC50 of 2.1 nM, 2.3 nM, 1.3 nM and 3.9 nM for ALKWT, ROS1WT, ALKL1196M and ALKG1202R, respectively.

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

F-1 is a potent dual inhibitor of ALK and ROS1 that suppresses phospho-ALK and its relative downstream signaling pathways with\xa0IC50 of 2.1 nM, 2.3 nM, 1.3 nM and 3.9 nM for ALKWT, ROS1WT, ALKL1196M\xa0and ALKG1202R, 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: CN1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC
• IUPAC Name: N-[2-[[5-chloro-2-[[2-methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
• InChIKey: KVGQFDSHCXICPE-UHFFFAOYSA-N
• INCHI: 1S/C22H27ClN8O3S/c1-30-10-12-31(13-11-30)19-9-8-18(21(27-19)34-2)26-22-24-14-15(23)20(28-22)25-16-6-4-5-7-17(16)29-35(3,32)33/h4-9,14,29H,10-13H2,1-3H3,(H2,24,25,26,28)
• Isomeric SMILES: CN1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC
• Molecular Weight: 519.02
• Reaxy-Rn: 33304155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33304155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Sulfanilides Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Halopyrimidines Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers Organosulfonamides Organic sulfonamides Imidolactams Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Pyridinylpiperazine - Sulfanilide - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - N-methylpiperazine - Halopyrimidine - Aminopyrimidine - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A549 (127892 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROS1 Tclin Proto-oncogene tyrosine-protein kinase ROS (2436 Activities)

Discover Target: ROS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H2228 (1030 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KARPAS-299 (888 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

BaF3 (4657 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive