Synonym
GSK-2245035 maleate; GSK 2245035 maleate; GSK2245035 maleate
IUPAC/Chemical Name
8H-Purin-8-one, 6-amino-7,9-dihydro-2-((1S)-1-methylbutoxy)-9-(5-(1-piperidinyl)pentyl)-, (2Z)-2-butenedioate (1:1)
InChi Key
MWVXFHFYGZBEBN-DASCVMRKSA-N
InChi Code
InChI=1S/C20H34N6O2.C4H4O4/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25;5-3(6)1-2-4(7)8/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
SMILES Code
CCC[C@@H](OC1=NC(N)=C2NC(N(C2=N1)CCCCCN3CCCCC3)=O)C.OC(/C=C\C(O)=O)=O
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
>2 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
2934.99.9001
|
Solvent |
mg/mL |
mM |
| Solubility |
| Soluble in DMSO |
0.0 |
100.00 |
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
506.60
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.
| 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 |
1: Tsitoura D, Ambery C, Price M, Powley W, Garthside S, Biggadike K, Quint D. Early clinical evaluation of the intranasal TLR7 agonist GSK2245035: Use of translational biomarkers to guide dosing and confirm target engagement. Clin Pharmacol Ther. 2015 Oct;98(4):369-80. doi: 10.1002/cpt.157. PubMed PMID: 26044169.
2. Discovery of 6-Amino-2-{[(1S)-1-methylbutyl]oxy}-9-[5-(1-piperidinyl)pentyl]-7,9-dihydro-8H-purin-8-one (GSK2245035), a Highly Potent and Selective Intranasal Toll-Like Receptor 7 Agonist for the Treatment of Asthma. Keith Biggadike, Mahbub Ahmed, Doug I. Ball, Diane M. Coe, Deidre A. Dalmas Wilk, Chris D. Edwards, Bob H. Gibbon, Charlotte J. Hardy, Stephen A. Hermitage, Joanne O. Hessey, Aimee E. Hillegas, Stephen C. Hughes, Linos Lazarides, Xiao Q. Lewell, Amanda Lucas, David N. Mallett, Mark A. Price, Fiona M. Priest, Diana J. Quint, Poonam Shah, Anesh Sitaram, Stephen A. Smith, Richard Stocker, Naimisha A. Trivedi, Daphne C. Tsitoura, and Victoria Weller Publication Date (Web): February 10, 2016 (Drug Annotation). DOI: 10.1021/acs.jmedchem.5b01647
