Enasidenib Mesylate - ≥97% , Isocitrate dehydrogenase [NADP], mitochondrial inhibitor, CAS No.1650550-25-6, Isocitrate dehydrogenase [NADP], mitochondrial inhibitor

CAS: 1650550-25-6 Cat. No.: E413196 Fórmula: C₂₀H₂₁F₆N₇O₄S Peso molecular: 569.48

GRADE & PURITY ≥97%

Synonyms

HY-18690A | D11044 | Enasidenib mesylate | ENASIDENIB MESYLATE [WHO-DD] | ORZHZQZYWXEDDL-UHFFFAOYSA-N | Enasidenib mesylate; AG-221 mesylate | SCHEMBL16448052 | DTXSID501027943 | Enasidenib mesylate [USAN] | 2-Propanol, 2-methyl-1-((4-(6-(trifluoromethyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Enasidenib Mesylate Enasidenib (Idhifa, AG-221) mesylate is an orally available, selective and potent inhibitor of mutant isocitrate dehydrogenase 2 (IDH2) .

Targets

IDH2

Specifications

Sinónimos

HY-18690A | D11044 | Enasidenib mesylate | ENASIDENIB MESYLATE [WHO-DD] | ORZHZQZYWXEDDL-UHFFFAOYSA-N | Enasidenib mesylate; AG-221 mesylate | SCHEMBL16448052 | DTXSID501027943 | Enasidenib mesylate [USAN] | 2-Propanol, 2-methyl-1-((4-(6-(trifluoromethyl)

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Enasidenib (Idhifa, AG-221) mesylate is an orally available, selective and potent inhibitor of mutant isocitrate dehydrogenase 2 (IDH2).

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

Isocitrate dehydrogenase [NADP], mitochondrial inhibitor

Pureza

≥97%

Propriedades do produto

• ALogP: 4.464
• hba_count: 5
• Contagem HBD: 2
• Ligação rotativa: 8

Nomes e identificadores

• Pubchem Sid: 504772598
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772598
• Sorrisos canónicos: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)O
• IUPAC Name: methanesulfonic acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
• InChIKey: ORZHZQZYWXEDDL-UHFFFAOYSA-N
• INCHI: 1S/C19H17F6N7O.CH4O3S/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1H3,(H,2,3,4)
• SMILES isoméricas: CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)O
• Peso molecular: 569.48
• Reaxy-Rn: 27865381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27865381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: N-aliphatic s-triazines Aminopyridines and derivatives 1,3,5-triazines Tertiary alcohols Sulfonyls Organosulfonic acids Methanesulfonates Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Not available
• Substituents: 2,4-diamine-s-triazine - Aminopyridine - N-aliphatic s-triazine - Pyridine - 1,3,5-triazine - Methanesulfonate - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Alkanesulfonic acid - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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

Alvos associados (humanos)

IDH2 Tclin Isocitrate dehydrogenase [NADP], mitochondrial (2 Activities)

Discover Target: IDH2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.59 mM); Ethanol: 10 mg/mL (17.55 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 100
• DMSO (mM) Solubilidade máxima: 175.598791880312
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 569.500 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 569.128 Da
• Monoisotopic Mass: 569.128 Da
• Topological Polar Surface Area: 171.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 727.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3