F-1 - ≥98% , CAS No.2244775-31-1

CAS: 2244775-31-1 Cat. No.: F412387 분자식: C₂₂H₂₇ClN₈O₃S 분자량: 519.02

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528764440
• 정식 스마일: 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)
• 이성체 SMILES: CN1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC
• 분자량: 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
    • 분류 Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

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A549 (127892 Activities)

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ALK Tclin ALK tyrosine kinase receptor (7132 Activities)

Discover Target: ALK

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

Discover Target: ROS1

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NCI-H2228 (1030 Activities)

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KARPAS-299 (888 Activities)

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관련 대상(비인간)

BaF3 (4657 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive