Salubrinal - ≥98% , CAS No.405060-95-9

CAS: 405060-95-9 Cat. No.: S125512 Molecular Weight: 479.81 EC Number: 809-398-8 PubChem CID: 5717801

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Salubrinal - ≥98% CAS No(405060-95-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

AC-33176 | (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}prop-2-enamide | F0095-1218 | AKOS016042385 | CHEBI:91873 | SCHEMBL6477826 | 2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Salubrinal is a selective inhibitor of eIF2α dephosphorylation and inhibits ER stress-mediated apoptosis with EC50 of ~15 μM.
A selective inhibitor of eIF-2α used to study ER stress-induced apoptosis

Specifications

Synonyms

AC-33176 | (2E)-3-phenyl-N-{2, 2, 2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}prop-2-enamide | F0095-1218 | AKOS016042385 | CHEBI:91873 | SCHEMBL6477826 | 2-Propenamide, 3-phenyl-N-[2, 2, 2-trichloro-1-[[(8-quinolinylamino)thioxomethyl]amino]ethyl]

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cell-permeable, selective inhibitor of cellular phosphatase complexes that dephosphorylate eukaryotic translation initiation factor 2 subunitα(eIF2α). Protects cells from endoplasmic reticulum stress-induced apoptosis (EC50~ 15μM).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid	504763951
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763951
Canonical Smiles	C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3
IUPAC Name	(E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
InChIKey	LCOIAYJMPKXARU-VAWYXSNFSA-N
INCHI	1S/C21H17Cl3N4OS/c22-21(23,24)19(27-17(29)12-11-14-6-2-1-3-7-14)28-20(30)26-16-10-4-8-15-9-5-13-25-18(15)16/h1-13,19H,(H,27,29)(H2,26,28,30)/b12-11+
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3
WGK Germany	3
PubChem CID	5717801
Molecular Weight	479.81

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acid amides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acid amides
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acid amides
Alternative Parents	Quinolines and derivatives Styrenes Pyridines and derivatives Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cinnamic acid amide - Quinoline - Styrene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
H2017184	Certificate of Analysis	Feb 05, 2026	S125512
H2017183	Certificate of Analysis	Feb 05, 2026	S125512
D2517058	Certificate of Analysis	Apr 24, 2025	S125512
E2509017	Certificate of Analysis	Apr 24, 2025	S125512
H2017185	Certificate of Analysis	Jun 23, 2022	S125512
H2017182	Certificate of Analysis	Jun 22, 2022	S125512

Solubility	Solvent:DMSO, Max Conc. mg/mL: 47.98, Max Conc. mM: 100
Sensitivity	Light Sensitive
Molecular Weight	479.800 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	478.019 Da
Monoisotopic Mass	478.019 Da
Topological Polar Surface Area	98.100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	622.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1