MedKoo Cat#: 127829 | Name: GSK3335103

Description:

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

GSK3335103 is a Highly Potent and Orally Bioavailable Nonpeptidic αvβ6 Integrin Inhibitor. GSK3335103 was found to have highly desirable oral pharmacokinetic profiles in rat, dog, and minipig, with low to moderate clearance (26%, 7%, and 18% liver blood flow, respectively), moderate volumes of distribution (3.6, 1.4, and 0.9 L/kg, respectively), high to complete oral bioavailabilities, high αvβ6 integrin potency of pIC50 of 8.0, and high solubility in physiological media (>2 mg/mL).

Chemical Structure

GSK3335103
GSK3335103
CAS#1893340-21-0 (free base)

Theoretical Analysis

MedKoo Cat#: 127829

Name: GSK3335103

CAS#: 1893340-21-0 (free base)

Chemical Formula: C27H36FN3O4

Exact Mass: 485.2690

Molecular Weight: 485.60

Elemental Analysis: C, 66.78; H, 7.47; F, 3.91; N, 8.65; O, 13.18

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1893340-21-0 (free base) 2133026-49-8 (citrate) 1893340-26-5 (maleate)
Synonym
GSK3335103; GSK-3335103; GSK 3335103
IUPAC/Chemical Name
(S)-4-((S)-3-fluoro-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)-3-(3-(2-methoxyethoxy)phenyl)butanoic acid
InChi Key
MKIJZIVRJUMEAD-AMGIVPHBSA-N
InChi Code
InChI=1S/C27H36FN3O4/c1-34-14-15-35-24-6-2-4-21(16-24)22(17-25(32)33)18-31-13-11-27(28,19-31)10-9-23-8-7-20-5-3-12-29-26(20)30-23/h2,4,6-8,16,22H,3,5,9-15,17-19H2,1H3,(H,29,30)(H,32,33)/t22-,27+/m1/s1
SMILES Code
OC(C[C@@H](C1=CC=CC(OCCOC)=C1)CN(C2)CC[C@@]2(F)CCC(C=C3)=NC4=C3CCCN4)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 485.60 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.

Recalculate based on batch purity %
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
Wilkinson AL, John AE, Barrett JW, Gower E, Morrison VS, Man Y, Pun KT, Roper JA, Luckett JC, Borthwick LA, Barksby BS, Burgoyne RA, Barnes R, Fisher AJ, Procopiou PA, Hatley RJD, Barrett TN, Marshall RP, Macdonald SJF, Jenkins RG, Slack RJ. Pharmacological characterisation of GSK3335103, an oral αvβ6 integrin small molecule RGD-mimetic inhibitor for the treatment of fibrotic disease. Eur J Pharmacol. 2021 Dec 15;913:174618. doi: 10.1016/j.ejphar.2021.174618. Epub 2021 Nov 8. PMID: 34762934.