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GSK 4112 - ≥98%(HPLC), high purity , CAS No.1216744-19-2, Agonist of Rev-Erb-α

COA COA
In stock
Item Number
G287974
Grouped product items
SKU Size
Availability
 Price Qty
G287974-5mg
5mg
3
$104.90
G287974-10mg
10mg
3
$160.90
G287974-50mg
50mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$675.90
G287974-100mg
100mg
2
$1,215.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Selective Rev-Erbα agonist

View related series
Apoptosis (4276) Lipid metabolism (1912) Rev-Erb-α Agonist (4)

Basic Description

Synonyms tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate | tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitro-2-thienyl)methyl]amino]acetate | HY-14414 | GSK4112 | GSK-4112 | DTXSID701336675 | Rev-erbalpha agonist GS4112 | GTPL2903 | S
Specifications & Purity Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms GSK4112 is a Rev-erbα agonist with EC50 of 0.4 μM, GSK4112 is a small-molecule chemical probe for the cellular biological study of the nuclear heme receptor REV-erbα.
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 AGONIST
Mechanism of action Agonist 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
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent Alpha amino acid esters
Alternative Parents 2-nitrothiophenes  Phenylmethylamines  Nitroaromatic compounds  Benzylamines  2,5-disubstituted thiophenes  Aralkylamines  Chlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Trialkylamines  Carboxylic acid esters  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Organochlorides  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organic salts  Organic cations  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Alpha-amino acid ester - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Thiophene - C-nitro compound - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic 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

Associated Targets(Human)

NR1D1 Tchem Nuclear receptor subfamily 1 group D member 1 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR1H3 Tchem LXR-alpha (2891 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Brain (1 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
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

IUPAC Name tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate
INCHI InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3
InChIKey WYSLOKHVFKLWOU-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)Cl)CC2=CC=C(S2)[N+](=O)[O-]
Isomeric SMILES CC(C)(C)OC(=O)CN(CC1=CC=C(C=C1)Cl)CC2=CC=C(S2)[N+](=O)[O-]
Molecular Weight 396.89
Reaxy-Rn 22650686
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22650686&ln=

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.

4 results found

Lot Number Certificate Type Date Item
A2218456 Certificate of Analysis Nov 07, 2024 G287974
A2218464 Certificate of Analysis Nov 07, 2024 G287974
A2218460 Certificate of Analysis Nov 07, 2024 G287974
A2218461 Certificate of Analysis Nov 07, 2024 G287974

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 9.92, Max Conc. mM: 25
Molecular Weight 396.900 g/mol
XLogP3 4.700
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 396.091 Da
Monoisotopic Mass 396.091 Da
Topological Polar Surface Area 104.000 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 487.000
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

Solution Calculators

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