Basic Description

Synonyms	Pharmakon1600-01500687 \| [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride \| GSK484 \| AKOS037643581 \| (3S,4R)-3-amino-1-({2-[1-(cyclopropylmethyl)indol-2-yl]-7-methox
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Potent and reversible inhibitor of PAD4 (Protein Arginine Deiminase 4) (IC 50 = 50 nM). Selective for PAD4 over PAD1-3. GSK484 binds at a different site from the amidines, a conformation of the PAD4 active site where part of the site is re-ordered to form
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -80°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	product description： GSK484 hydrochloride is a selective and reversible peptidylarginine deiminase 4 (PAD4) inhibitor. GSK484 hydrochloride demonstrates high affinity binding to PAD4 with IC50s of 50 nM in the absence of Calcium. In the presence of 2 mM Calcium, notably lower potency (250 nM) is observed.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass N-acylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	N-acylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzoylpiperidines
Alternative Parents	N-alkylindoles Benzimidazoles Indoles Anisoles Alkyl aryl ethers Aminopiperidines Substituted pyrroles N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides Monoalkylamines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzoylpiperidine - N-alkylindole - Benzimidazole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - N-substituted imidazole - Benzenoid - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Primary amine - Hydrochloride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary aliphatic amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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)

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

HepG2 (196354 Activities)

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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

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	488202420
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202420
IUPAC Name	[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
INCHI	InChI=1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1
InChIKey	MULKOGJHUZTANI-ADMBKAPUSA-N
Smiles	CN1C2=C(C=C(C=C2OC)C(=O)N3CCC(C(C3)N)O)N=C1C4=CC5=CC=CC=C5N4CC6CC6.Cl
Isomeric SMILES	CN1C2=C(C=C(C=C2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)N=C1C4=CC5=CC=CC=C5N4CC6CC6.Cl
Molecular Weight	510.03
Reaxy-Rn	39719303
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39719303&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.

10 results found

Lot Number	Certificate Type	Date	Item
B2301805	Certificate of Analysis	Apr 11, 2024	G276185
B2301814	Certificate of Analysis	Mar 07, 2024	G276185
B2301924	Certificate of Analysis	Mar 07, 2024	G276185
B2301755	Certificate of Analysis	Feb 01, 2024	G276185
B2301785	Certificate of Analysis	Feb 01, 2024	G276185
B2301741	Certificate of Analysis	Nov 08, 2023	G276185
B2301780	Certificate of Analysis	Nov 08, 2023	G276185
B2301804	Certificate of Analysis	Nov 08, 2023	G276185
B2301806	Certificate of Analysis	Nov 08, 2023	G276185
B2301817	Certificate of Analysis	Nov 08, 2023	G276185

Chemical and Physical Properties

Solubility	Soluble in DMSO to 50 mM
Molecular Weight	510.000 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	509.219 Da
Monoisotopic Mass	509.219 Da
Topological Polar Surface Area	98.500 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	780.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	2

Solution Calculators

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Reconstitution Calculator

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Desired Reconstitution Concentration

SKU	Size	Availability	Price
G276185-1mg	1mg	2	$45.90
G276185-5mg	5mg	2	$187.90
G276185-10mg	10mg	2	$286.90
G276185-25mg	25mg	2	$583.90
G276185-50mg	50mg	2	$1,051.90

GSK484 hydrochloride - ≥98%, high purity , CAS No.1652591-81-5