Synonym
AG-045572; AG045572; AG 045572
IUPAC/Chemical Name
5-[5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl-methyl]-N-(2,4,6-trimethoxyphenyl)-2-furancarboxamide
InChi Key
IPEMCIBPDYCJLO-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)
SMILES Code
CC(CCC(C)2C)(C)C1=C2C=C(C)C(CC3=CC=C(C(NC4=C(OC)C=C(OC)C=C4OC)=O)O3)=C1
Purity
>97% (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
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
491.63
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: Barnes MJ, Burschka C, Büttner MW, Conroy R, Daiss JO, Gray IC, Hendrick AG,
Tam LH, Kuehn D, Miller DJ, Mills JS, Mitchell P, Montana JG, Muniandy PA,
Rapley H, Showell GA, Tebbe D, Tacke R, Warneck JB, Zhu B. Silicon analogues of
the nonpeptidic GnRH antagonist AG-045572: syntheses, crystal structure
analyses, and pharmacological characterization. ChemMedChem. 2011 Nov
4;6(11):2070-80. doi: 10.1002/cmdc.201100318. Epub 2011 Sep 27. PMID: 21953839.
2: Iatsimirskaia EA, Gregory ML, Anderes KL, Castillo R, Milgram KE, Luthin DR,
Pathak VP, Christie LC, Vazir H, Anderson MB, May JM. Effect of testosterone
suppression on the pharmacokinetics of a potent gnRH receptor antagonist. Pharm
Res. 2002 Feb;19(2):202-8. doi: 10.1023/a:1014281018271. PMID: 11883648.
