ISRIB - ≥98% , CAS No.548470-11-7

CAS: 548470-11-7 Cat. No.: I412498 분자식: C₂₂H₂₄Cl₂N₂O₄ 분자량: 451.34

등급 & 순도 ≥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

개요

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

사양

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ANTAGONIST

순수함

≥98%

제품 특성

ALogP

4.055

hba_count

4

HBD 수

2

회전 가능한 결합

8

이름과 식별자

Pubchem Sid

508810587

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Phenol ethers

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 10 mg/mL (22.15 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg/mL) 최대 용해도: 10
• DMSO(mM) 최대 용해도: 22.1562458457039
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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