ISRIB - ≥98% , CAS No.548470-11-7

CAS: 548470-11-7 Cat. No.: I412498 Fórmula: C₂₂H₂₄Cl₂N₂O₄ Peso molecular: 451.34

GRAU & PUREZA ≥98%

Synonyms

ISRIB | ISRIB trans-isomer | BCP23947 | ISRIB, >=98% (HPLC) | N,N'-(Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) | N,N'-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] | A897811 | N,N'-(cis-Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

ISRIB ISRIB is an integrated stress response (ISR) inhibitor that potently reverses the effects of eukaryotic initiation factor 2α (eIF2α) phosphorylation with IC50 of 5 nM.

Targets

ISR ; eIF2α

Especificações

Sinónimos

ISRIB | ISRIB trans-isomer | BCP23947 | ISRIB, >=98% (HPLC) | N,N'-(Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) | N,N'-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] | A897811 | N,N'-(cis-Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetam

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

ISRIB is an integrated stress response (ISR) inhibitor that potently reverses the effects of eukaryotic initiation factor 2α (eIF2α) phosphorylation with IC50 of 5 nM.

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

ANTAGONIST

Pureza

≥98%

Propriedades do produto

ALogP

4.055

hba_count

4

Contagem HBD

2

Ligação rotativa

8

Nomes e identificadores

Pubchem Sid

508810587

Sorrisos canónicos

C1CC(CCC1NC(=O)COC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)Cl

IUPAC Name

2-(4-chlorophenoxy)-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]acetamide

InChIKey

HJGMCDHQPXTGAV-UHFFFAOYSA-N

INCHI

1S/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)

SMILES isoméricas

C1CC(CCC1NC(=O)COC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)Cl

Peso molecular

451.34

Reaxy-Rn

40593794

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40593794&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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 (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 10 mg/mL (22.15 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 10
• DMSO (mM) Solubilidade máxima: 22.1562458457039
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 451.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 450.111 Da
• Monoisotopic Mass: 450.111 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 493.000
• 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: 1