FF-10101 - 10mM in DMSO , Tyrosine-protein kinase receptor FLT3 inhibitor, CAS No.1472797-69-5, Tyrosine-protein kinase receptor FLT3 inhibitor

CAS: 1472797-69-5 Cat. No.: F421717 Molecular Weight: 530.66 PubChem CID: 90052320

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Tyrosine-protein kinase receptor FLT3 inhibitor

Product Properties

• ALogP: 4.153
• HBD Count: 3
• Rotatable Bond: 15

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 530.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 188.444578449478
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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