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GSK199 - 97%, high purity , CAS No.1549811-53-1

COA

Grade & Purity:

≥97%

Cas Number: 1549811-53-1
Molecular Weight: 468.98
PubChem CID: 86340155

In stock

Item Number

G413836

Grouped product items
SKU	Size	Availability	Price
G413836-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$283.90
G413836-5mg	5mg	3	$555.90
G413836-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$841.90
G413836-25mg	25mg	2	$1,507.90

View related series

Epigenetics (1496) Histone Modification (1379) Protein Arginine Deiminase (14)

Basic Description

Synonyms	GSK199 hydrochloride \| (R)-(3-Aminopiperidin-1-yl)(2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone hydrochloride
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	GSK199 is a selective inhibitor of PAD4 with IC50 of 200 nM in the absence of calcium.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information GSK199 is a selective inhibitor of PAD4 with IC50 of 200 nM in the absence of calcium.

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	Pyrrolopyridines Benzimidazoles Anisoles Alkyl aryl ethers Aminopiperidines Substituted pyrroles Pyridines and derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-benzoylpiperidine - Benzimidazole - Pyrrolopyridine - Anisole - Phenol ether - Alkyl aryl ether - 3-aminopiperidine - Benzenoid - Substituted pyrrole - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Primary amine - Primary aliphatic amine - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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

Names and Identifiers

IUPAC Name	[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride
INCHI	InChI=1S/C24H28N6O2.ClH/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29;/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3;1H/t17-;/m1./s1
InChIKey	KRGMIOKDGHBYQE-UNTBIKODSA-N
Smiles	CCN1C(=CC2=C1N=CC=C2)C3=NC4=C(N3C)C(=CC(=C4)C(=O)N5CCCC(C5)N)OC.Cl
Isomeric SMILES	CCN1C(=CC2=C1N=CC=C2)C3=NC4=C(N3C)C(=CC(=C4)C(=O)N5CCC[C@H](C5)N)OC.Cl
PubChem CID	86340155
Molecular Weight	468.98

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
G2418361	Certificate of Analysis	Apr 07, 2024	G413836
G2418363	Certificate of Analysis	Apr 07, 2024	G413836
G2418347	Certificate of Analysis	Apr 07, 2024	G413836
G2418348	Certificate of Analysis	Apr 07, 2024	G413836
G2418359	Certificate of Analysis	Apr 07, 2024	G413836
G2418362	Certificate of Analysis	Apr 07, 2024	G413836
G2418358	Certificate of Analysis	Apr 07, 2024	G413836
G2418360	Certificate of Analysis	Apr 07, 2024	G413836

Chemical and Physical Properties

Molecular Weight	469.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	468.204 Da
Monoisotopic Mass	468.204 Da
Topological Polar Surface Area	91.200 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	679.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

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