Skip to the beginning of the images gallery

SR 8278 - ≥98%, high purity , CAS No.1254944-66-5, Antagonist of Rev-Erb-α

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1254944-66-5
Molecular Weight: 361.48
MDL number: MFCD18782736
PubChem CID: 53393127
PubChem SID: 504771188

In stock

Item Number

S132222

Grouped product items
SKU	Size	Availability	Price
S132222-5mg	5mg	3	$147.90
S132222-25mg	25mg	2	$503.90
S132222-50mg	50mg	2	$800.90

Rev-Erbα antagonist

View related series

Lipid metabolism (1912) Metabolic Enzyme/Protease (4860) REV-ERB (7) Rev-Erb-α Antagonist (1) Vitamin D Related/Nuclear Receptor (907)

Basic Description

Synonyms	ethyl2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate \| 1254944-66-5 \| Q27088866 \| SR8278, >=98%, semisolid \| AKOS024458171 \| GTPL2904 \| SCHEMBL20488638 \| 1,2,3,4-Tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-3-isoqui
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Rev-Erbαantagonist; inhibits Rev-Erbαtranscriptional repression (EC50= 0.47μM). Blocks activity of Rev-ErbαagonistGSK 4112 in HEK293 cells. Increases expression of glucose-regulating genes,G6PaseandPEPCKin HepG2 cells.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of Rev-Erb-α

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Tetrahydroisoquinolines Thiophene carboxamides 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Alkylarylthioethers Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid ester - Tetrahydroisoquinoline - 2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Alkylarylthioether - Benzenoid - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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

Associated Targets(Human)

NR1D1 Tchem Nuclear receptor subfamily 1 group D member 1 (2 Activities)

Discover Target: NR1D1

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

U2OS (164939 Activities)

Explore this target

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

NR1D1 Tchem Nuclear receptor subfamily 1 group D member 1 (332 Activities)

Discover Target: NR1D1

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504771188
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771188
IUPAC Name	ethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
INCHI	InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3
InChIKey	UIEBLUZPSFAFOC-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(S3)SC
Isomeric SMILES	CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(S3)SC
WGK Germany	3
PubChem CID	53393127
Molecular Weight	361.48

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G2201437	Certificate of Analysis	Apr 07, 2024	S132222
G2201512	Certificate of Analysis	Apr 07, 2024	S132222
G2201438	Certificate of Analysis	Apr 07, 2024	S132222

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 36.15, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 18.07, Max Conc. mM: 50
Molecular Weight	361.500 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	361.081 Da
Monoisotopic Mass	361.081 Da
Topological Polar Surface Area	100.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	473.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration