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 Formula: C₂₀H₂₁F₆N₇O₄S Peso molecolare: 569.48

QUALITÀ & PUREZZA ≥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

Panoramica

Information

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

Targets

IDH2

Specifiche

Sinonimi

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)

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Isocitrate dehydrogenase [NADP], mitochondrial inhibitor

Purezza

≥97%

Proprietà del prodotto

ALogP

4.464

hba_count

5

Conteggio HBD

2

Legame rotabile

8

Nomi e identificatori

Pubchem Sid

504772598

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772598

Sorrisi canonici

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)

Isomeri SMILES

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 molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.59 mM); Ethanol: 10 mg/mL (17.55 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 175.598791880312
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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