Basic Description

Synonyms	332117-28-9 \| TCS 5861528 \| chembridge-5861528 \| TCS-5861528 \| CHEMBL1086339 \| N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide \| 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(1-methylpropyl)phenyl]acetamide \| N-[4-(butan-2-yl)ph
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	TRPA1 channel blocker that antagonizes AITC- and 4-HNE-evoked calcium influx (IC50values are 14.3 and 18.7μM respectively). Attenuates diabetic hypersensitivity in anin vivorat model.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	GATING INHIBITOR
Mechanism of action	Gating inhibitor of TRPA1
Product Description	product description： Chembridge-5861528 (TCS 5861528) is a blocker of TRPA1 channel that antagonizes AITC- and 4-HNE-evoked calcium influx with IC50 of 14.3 μM and 18.7 μM, respectively.

Associated Targets(Human)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

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

Associated Targets(non-human)

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

SARS-CoV-2 (38078 Activities)

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

Names and Identifiers

IUPAC Name	N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
INCHI	InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)
InChi Key	ZUTUWJYMCADJHD-UHFFFAOYSA-N
Canonical SMILES	CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
Isomeric SMILES	CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
PubChem CID	2873523
Molecular Weight	369.42

Database links

ChEMBL Ligand	CHEMBL1086339
PubChem CID	2873523
CAS Registry No.	332117-28-9

Certificates

Certificate of Analysis(COA)

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4 results found

Lot Number	Certificate Type	Date	Item
J2116100	Certificate of Analysis	Jul 08, 2024	T287267
J2116103	Certificate of Analysis	Jul 08, 2024	T287267
J2116104	Certificate of Analysis	Jul 08, 2024	T287267
J2116112	Certificate of Analysis	Jul 08, 2024	T287267

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 36.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.69, Max Conc. mM: 10

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

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SKU	Size	Availability	Price
T287267-5mg	5mg	In stock	$77.90
T287267-10mg	10mg	In stock	$129.90
T287267-25mg	25mg	In stock	$292.90
T287267-50mg	50mg	In stock	$521.90

TCS 5861528 - ≥98%(HPLC), high purity , CAS No.332117-28-9, Gating inhibitor of TRPA1