FF-10101 - ≥98% , Tyrosine-protein kinase receptor FLT3 inhibitor, CAS No.1472797-69-5, Tyrosine-protein kinase receptor FLT3 inhibitor

CAS: 1472797-69-5 Cat. No.: F414255 Formula: C₂₉H₃₈N₈O₂ Peso molecolare: 530.66 PubChem CID: 90052320

GRADE & PURITY ≥98%

Synonyms

FF 10101; FF10101 | SCHEMBL16443760 | 2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophenyl)amino)-4-(propylamino)-5-pyrimidinyl)-4-pentyn-1-yl)amino)-1-methyl-2-oxoethyl)-4-(dimethylamino)-N-methyl-, (2E)- | HY-109584 | 1472797-69-5 | (S,E)-N-(1-((5-(2-((4-Cyan

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

FF-10101 FF-10101 is a novel irreversible FLT3 inhibitor with ic50 of 0.20 nM and 0.16 nM for FLT3 (WT) and FLT3(D835Y), respectively.

Targets

FLT3 (D835Y) (Cell-free assay); FLT3 (WT) (Cell-free assay) 0.16 nM; 0.20 nM

In vitro

FF-10101 potently and selectively inhibits the growth of mutant FLT3-expressing leukemia cells in vitro.

In vivo

Oral administration of FF-10101 shows significant anti-leukemic effects at 5 mg/kg and 10 mg/kg twice daily for 11 days in the PDX model of AML cells with FLT3-ITD.

Cell Research(from reference)

Cell lines：HEK293T cells 

Incubation Time：1 h 

Specifications

Sinonimi

FF 10101; FF10101 | SCHEMBL16443760 | 2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophenyl)amino)-4-(propylamino)-5-pyrimidinyl)-4-pentyn-1-yl)amino)-1-methyl-2-oxoethyl)-4-(dimethylamino)-N-methyl-, (2E)- | HY-109584 | 1472797-69-5 | (S,E)-N-(1-((5-(2-((4-Cyan

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

FF-10101 is a novel irreversible FLT3 inhibitor with ic50 of 0.20 nM and 0.16 nM for FLT3 (WT) and FLT3(D835Y), respectively.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Tyrosine-protein kinase receptor FLT3 inhibitor

Purezza

≥98%

Proprietà del prodotto

• ALogP: 4.153
• Conteggio HBD: 3
• Legame rotabile: 15

Nomi e identificatori

• Pubchem Sid: 504772560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772560
• Sorrisi canonici: CCCNC1=NC(=NC=C1C#CCCCNC(=O)C(C)N(C)C(=O)C=CCN(C)C)NC2=CC=C(C=C2)C#N
• IUPAC Name: (E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
• InChIKey: HJFSVYUFOXAVAA-YUAYGMJFSA-N
• INCHI: 1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1
• Isomeri SMILES: CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N
• PubChem CID: 90052320
• Peso molecolare: 530.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alanine and derivatives
• Alternative Parents: Benzonitriles Aniline and substituted anilines Aminopyrimidines and derivatives N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alanine or derivatives - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - N-acyl-amine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Obiettivi associati (umani)

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

MV4-11 (7307 Activities)

Explore this target

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

MOLM-14 (399 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 100 mg/mL (188.44 mM); Ethanol: 100 mg/mL (188.44 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 188.444578449478
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 530.700 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 530.312 Da
• Monoisotopic Mass: 530.312 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 906.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1472797-69-5, the molecular formula is C29H38N8O2, and the molecular weight is 530.66 g/mol. InChIKey HJFSVYUFOXAVAA-YUAYGMJFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.