Malate de sunitinib - ≥99% , Tyrosine-protein kinase receptor RET inhibitor, CAS No.341031-54-7, Tyrosine-protein kinase receptor RET inhibitor

CAS: 341031-54-7 Cat. No.: E129728 Formule: C₂₂H₂₇FN₄O₂·C₄H₆O₅ Poids moléculaire: 532.56 Numéro CE: 638-825-9

GRADE & PURITY ≥99%

Synonyms

1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1) | CAS-341031-54-7 | Sunitinib malate | (Z)-N-(2-(diethylamino)ethyl)-5-((5-fluoro-2-oxoindo

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Le sunitinib est un inhibiteur de RTK à cibles multiples qui cible le VEGFR2 (Flk-1) et le PDGFRβ avec des IC50 de 80 nM et 2 nM, et qui inhibe également c-Kit.

Specifications

Synonymes

1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1) | CAS-341031-54-7 | Sunitinib malate | (Z)-N-(2-(diethylamino)ethyl)-5-((5-fluoro-2-oxoindo

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Puissant inhibiteur ATP-compétitif du VEGFR, PDGFRβet KIT (les valeurs K sont de 2, 9, 17, 8 et 4 nM pour VEGFR -1, -2, -3, PDGFRβet KIT respectivement). Il inhibe également la phosphorylation des récepteurs cellulaires FLT3, RET et CSF-1R. Présente des p

Informations juridiques

Vendu uniquement à des fins de recherche

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

INHIBITOR

Mécanisme d'action

Tyrosine-protein kinase receptor RET inhibitor

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504764241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764241

Sourires canoniques

CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C.C(C(C(=O)O)O)C(=O)O

IUPAC Name

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-hydroxybutanedioic acid

InChIKey

LBWFXVZLPYTWQI-IPOVEDGCSA-N

INCHI

1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1

Isomères SMILES

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O

WGK Allemagne

2

Poids moléculaire

532.56

Reaxy-Rn

14643863

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14643863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Pyrrole carboxamides Beta hydroxy acids and derivatives Short-chain hydroxy acids and derivatives Substituted pyrroles Aryl fluorides Benzenoids Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary alcohols Secondary carboxylic acid amides Lactams Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organofluorides Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Not available
• Substituents: Dihydroindole - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Beta-hydroxy acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Lactam - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alcohol - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Cibles associées (humaines)

CSF1R Tclin Macrophage colony-stimulating factor 1 receptor (1 Activities)

Discover Target: CSF1R

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

CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)

Discover Target: CSF1R

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

ACHN (49357 Activities)

Explore this target

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

Cibles associées (non humaines)

NIH3T3 (5395 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 13.31, Max Conc. mM: 25
• Poids moléculaire: 532.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 532.233 Da
• Monoisotopic Mass: 532.233 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 765.000
• 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: 2

XLogP3