Sunitinib Malate - ≥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 분자식: C₂₂H₂₇FN₄O₂·C₄H₆O₅ 분자량: 532.56 EC 번호: 638-825-9

등급 & 순도 ≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Sunitinib is a multi-targeted RTK inhibitor targeting VEGFR2 (Flk-1) and PDGFRβ with IC50 of 80 nM and 2 nM, and also inhibits c-Kit.

사양

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Potent, ATP-competitive VEGFR, PDGFRβand KIT inhibitor (Kivalues are 2, 9, 17, 8 and 4 nM for VEGFR -1, -2, -3, PDGFRβand KIT respectively). Also inhibits cellular receptor phosphorylation of FLT3, RET and CSF-1R. Exhibits antiangiogenic and antitumor a

법률 정보

Sold for only research purposes

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Tyrosine-protein kinase receptor RET inhibitor

순수함

≥99%

이름과 식별자

Pubchem Sid

504764241

Pubchem Sid Url

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

정식 스마일

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

이성체 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 독일

2

분자량

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
    • 분류 Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

NIH3T3 (5395 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 13.31, Max Conc. mM: 25
• 분자량: 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