AG-13958 - ≥99% , Vascular endothelial growth factor receptor inhibitor, CAS No.319460-94-1, Vascular endothelial growth factor receptor inhibitor

CAS: 319460-94-1 Cat. No.: A412773 분자식: C₂₆H₂₂FN₇O 분자량: 467.51

GRADE & PURITY ≥99%

Synonyms

BK72RP7F7D | N-[2-Fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide | BCPP000423 | HY-15492 | A875759 | AG13958 | AG-13958 | AKOS015904194 | BCP9000248 | J-502056 | (E)-N-(2-fluoro-5-(3-(2-(pyridin-2

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

AG-13958 AG-13958 (AG-013958), a VEGFR tyrosine kinase inhibitor, is in clinical development with ST administration for treatment of choroidal neovascularization associated with age–related macular degeneration (AMD).

Targets

VEGFR

Specifications

동의어

BK72RP7F7D | N-[2-Fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide | BCPP000423 | HY-15492 | A875759 | AG13958 | AG-13958 | AKOS015904194 | BCP9000248 | J-502056 | (E)-N-(2-fluoro-5-(3-(2-(pyridin-2

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

AG-13958 (AG-013958), a VEGFR tyrosine kinase inhibitor, is in clinical development with ST administration for treatment of choroidal neovascularization associated with age–related macular degeneration (AMD).

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Vascular endothelial growth factor receptor inhibitor

순수함

≥99%

제품 특성

• ALogP: 4.3

이름과 식별자

• Pubchem Sid: 528763050
• 정식 스마일: CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)NC3=CC4=C(C=C3)C(=NN4)C=CC5=CC=CC=N5)F)C
• IUPAC Name: N-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide
• InChIKey: JXSVVZKPEDIRTN-DHZHZOJOSA-N
• INCHI: 1S/C26H22FN7O/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17/h3-15,29H,1-2H3,(H,30,35)(H,31,32)/b11-8+
• 이성체 SMILES: CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)NC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5)F)C
• 분자량: 467.51
• Reaxy-Rn: 41092230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41092230&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Indazoles 2-heteroaryl carboxamides Aniline and substituted anilines Pyrazole-5-carboxamides Fluorobenzenes Aryl fluorides Pyridines and derivatives Primary aromatic amines Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Benzopyrazole - Indazole - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Primary aromatic amine - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: 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

관련 대상(인간)

KDR Tclin Vascular endothelial growth factor receptor 2 (2 Activities)

Discover Target: KDR

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 94 mg/mL (201.06 mM); Water: Insoluble; Ethanol: Insoluble
• 감도: Moisture sensitive；Light sensitive
• 분자량: 467.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 467.187 Da
• Monoisotopic Mass: 467.187 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 753.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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