FN-1501 - Moligand™,≥99% , CAS No.1429515-59-2

CAS: 1429515-59-2 Cat. No.: F650483 Peso molecular: 431.49 PubChem CID: 72195175

GRADE & PURITY Moligand™, ≥99%

Synonyms

FN-1501 | TQR1001 | 4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-5-carboxamide | 1429515-59-2 | 4-((7H-Pyrrolo (2,3-d)pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-c

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

FN-1501 is a potent inhibitor of FLT3 and CDK , with IC 50 s of 2.47, 0.85, 1.96, and 0.28 nM for CDK2/cyclin A, CDK4/cyclin D1, CDK6/cyclin D1 and FLT3 , respectively. FN-1501 has anticancer activity.

In Vitro

FN-1501 is a potent inhibitor of FLT3 and CDK, with IC 50 s of 2.47 ± 0.21, 0.85 ± 0.28, 1.96 ± 0.08 and 0.28 ± 0.01 nM for CDK2/cyclin A, CDK4/cyclin D1, CDK6/cyclin D1 and FLT3, respectively. FN-1501 shows potent inhibitory activity against several tumor cells, such as MGC803, RS4 11, MCF-7, HCT-116, and NCI-H82, with GI 50 s of 0.37 ± 0.04, 0.05 ± 0.01, 2.84 ± 0.25, 0.09 ± 0.04, 0.11 ± 0.02 nM, respectively. 

In Vivo

FN-1501 exhibits potent antitumor activity, and shows little cytotoxicity on normal lymphocyte cells, with LD 50 of 185.67 mg/kg in ICR mice. FN-1501 (15. 30, or 40 mg/kg/d, i.v.) dose-dependently and significantly suppresses the growth of tumor in MV4-11-cell-inoculated-xenograft mice . 

Form:Solid

IC50& Target:Cdk4/cyclin D1 0.85 nM (IC 50 ) CDK6/cyclinD1 1.96 nM (IC 50 ) cdk2/cyclin A 2.47 nM (IC 50 ) FLT3 0.28 nM (IC 50 )

Specifications

Sinónimos

FN-1501 | TQR1001 | 4-((7H-pyrrolo[2, 3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-5-carboxamide | 1429515-59-2 | 4-((7H-Pyrrolo (2, 3-d)pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-c

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

FN-1501 is a potent inhibitor of FLT3 and CDK , with IC 50 s of 2.47, 0.85, 1.96, and 0.28 nM for CDK2/cyclin A, CDK4/cyclin D1, CDK6/cyclin D1 and FLT3 , respectively. FN-1501 has anticancer activity.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5
• IUPAC Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
• InChIKey: VXLAKHWYGRKCGI-UHFFFAOYSA-N
• INCHI: 1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28)
• Isómeros SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5
• CAS alternativo: 1429515-59-2
• PubChem CID: 72195175
• Términos de entrada MeSH: LT-171-861;N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
• Peso molecular: 431.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines 2-heteroaryl carboxamides Benzylamines Phenylmethylamines Pyrazole-5-carboxamides Aminopyrimidines and derivatives Aralkylamines N-methylpiperazines Imidolactams Vinylogous amides Heteroaromatic compounds Pyrroles Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Phenylmethylamine - Pyrazole-5-carboxamide - Benzylamine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Aminopyrimidine - 1,4-diazinane - Piperazine - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrrole - Vinylogous amide - Pyrazole - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Objetivos asociados (humanos)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (1 Activities)

Discover Target: FLT3

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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

MCF7 (126967 Activities)

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

PC-3 (62116 Activities)

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

HCT-116 (91556 Activities)

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

HepG2 (196354 Activities)

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

MV4-11 (7307 Activities)

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

Liver (3974 Activities)

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

CDK4 Tclin Cyclin-dependent kinase 4/cyclin D1 (2340 Activities)

Discover Target: CDK4

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

CCND1 Tchem CDK6/cyclin D1 (322 Activities)

Discover Target: CCND1

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

NCI-H82 (178 Activities)

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

RS4-11 (1012 Activities)

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

CDK2 Tchem CDK2/Cyclin A1 (171 Activities)

Discover Target: CDK2

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

MGC-803 (6426 Activities)

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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

BaF3 (4657 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : ≥ 50 mg/mL (115.88 mM)
• Sensibilidad: Light sensitive
• Peso molecular: 431.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 431.218 Da
• Monoisotopic Mass: 431.218 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 621.000
• 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