Gusacitinib - Moligand™, ≥98% , Inhibitor of Janus kinase 2;Inhibitor of spleen associated tyrosine kinase, CAS No.1425381-60-7, Inhibitor of Janus kinase 2;Inhibitor of spleen associated tyrosine kinase

CAS: 1425381-60-7 Cat. No.: G412595 분자식: C₂₄H₂₈N₈O₂ 분자량: 460.53 EC 번호: 888-705-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-(4-(4-(4-Hydroxy-piperidin-1-yl)-phenylamino)-5-oxo-5,6-dihydro-pyrimido(4,5-D)pyridazin-2-yl)-piperidin-4-YL-acetonitrile | AKOS040741172 | example 189 [WO2013028818A1] | Gusacitinib [INN] | GTPL10000 | MS-28452 | UNII-4801QYW816 | Gusacitinib [USAN] |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

Gusacitinib (ASN-002) is an orally active and potent dual inhibitor of spleen tyrosine kinase (SYK) and janus kinase (JAK) with IC50 of 5-46 nM. Gusacitinib has anti-cancer activity.

Specifications

동의어

1-(4-(4-(4-Hydroxy-piperidin-1-yl)-phenylamino)-5-oxo-5,6-dihydro-pyrimido(4,5-D)pyridazin-2-yl)-piperidin-4-YL-acetonitrile | AKOS040741172 | example 189 [WO2013028818A1] | Gusacitinib [INN] | GTPL10000 | MS-28452 | UNII-4801QYW816 | Gusacitinib [USAN] |

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Gusacitinib (ASN-002) is an orally active and potent dual inhibitor of spleen tyrosine kinase (SYK) and janus kinase (JAK) with IC50 of 5-46 nM. Gusacitinib has anti-cancer activity.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of Janus kinase 2;Inhibitor of spleen associated tyrosine kinase

순수함

≥98%

제품 특성

• ALogP: 2.6

이름과 식별자

• Pubchem Sid: 528770684
• 정식 스마일: C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O
• IUPAC Name: 2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile
• InChIKey: NLFLXLJXEIUQDL-UHFFFAOYSA-N
• INCHI: 1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)
• 이성체 SMILES: C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O
• 대체 CAS: 1425381-60-7
• MeSH 용어: 1-(4-(4-(4-hydroxy-piperidin-1-yl)-phenylamino)-5-oxo-5,6-dihydro-pyrimido(4,5-D)pyridazin-2-yl)-piperidin-4-YL-acetonitrile;4-piperidineacetonitrile, 1-(5,6-dihydro-4-((4-(4-hydroxy-1-piperidinyl)phenyl)amino)-5-oxopyrimido(4,5-D)pyridazin-2-yl)-;ASN-002
• 분자량: 460.53
• Reaxy-Rn: 23382589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23382589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pyridazinones Aminopyrimidines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Secondary alcohols Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary alcohol - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

관련 대상(인간)

SYK Tclin Tyrosine-protein kinase SYK (1 Activities)

Discover Target: SYK

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (1 Activities)

Discover Target: JAK2

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

JAK3 Tclin Janus Kinase (JAK) (173 Activities)

Discover Target: JAK3

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 460.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 460.234 Da
• Monoisotopic Mass: 460.234 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 775.000
• 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: 1