GSK3117391 | CAS#1018673-42-1 | HDAC inhibitor

MedKoo Cat#: 555376 | Name: GSK3117391

Description:

WARNING: This product is for research use only, not for human or veterinary use.

GSK3117391, also known as GSK3117391A and HDAC-IN-3, is a potent HDAC inhibitor for treating chronic inflammatory disorders.

Chemical Structure

GSK3117391

CAS#1018673-42-1

Theoretical Analysis

MedKoo Cat#: 555376

Name: GSK3117391

CAS#: 1018673-42-1

Chemical Formula: C22H33N3O4

Exact Mass: 403.2471

Molecular Weight: 403.52

Elemental Analysis: C, 65.48; H, 8.24; N, 10.41; O, 15.86

Price and Availability

Size	Price	Availability
10mg	USD 150.00	Ready to Ship
25mg	USD 250.00	Ready to Ship
50mg	USD 450.00	Ready to Ship
100mg	USD 750.00	Ready to Ship
200mg	USD 1,250.00	Ready to Ship
500mg	USD 2,650.00	Ready to Ship
1g	USD 3,850.00	Ready to Ship
2g	USD 6,250.00	Ready to Ship

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Related CAS #

1018673-42-1

Synonym

GSK3117391; GSK-3117391; GSK 3117391; GSK3117391A; GSK-3117391A; GSK 3117391A; HDAC-IN-3; CHR5154; CHR 5154; CHR-5154;

IUPAC/Chemical Name

cyclopentyl (S)-2-cyclohexyl-2-(((6-(3-(hydroxyamino)-3-oxopropyl)pyridin-3-yl)methyl)amino)acetate

InChi Key

AFDPFLDWOXXHQM-NRFANRHFSA-N

InChi Code

InChI=1S/C22H33N3O4/c26-20(25-28)13-12-18-11-10-16(14-23-18)15-24-21(17-6-2-1-3-7-17)22(27)29-19-8-4-5-9-19/h10-11,14,17,19,21,24,28H,1-9,12-13,15H2,(H,25,26)/t21-/m0/s1

SMILES Code

O=C(OC1CCCC1)[C@H](C2CCCCC2)NCC3=CC=C(CCC(NO)=O)N=C3

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot# A21T01K05

QC Data

View QC data: current batch, Lot# A21T01K05

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

GSK3117391 is a histone deacetylase (HDAC) inhibitor with an IC50 of 100 nM in HeLa nuclear extracts.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	81.0	200.73
	Ethanol	15.0	37.17

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 403.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

[1]. Davidson Alan Hornsby, et al. Preparation of amino acid-based hydroxamic acids as histone deacetylase (HDAC) inhibitors. From PCT Int. Appl. (2008), WO 2008040934 A1 20080410. https://patents.google.com/patent/WO2008040934A1