Synonym
T-98475, T 98475, T98475
IUPAC/Chemical Name
propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate
InChi Key
RANJJVIMTOIWIN-UHFFFAOYSA-N
InChi Code
InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
SMILES Code
O=C(C1=CN(CC2=C(F)C=CC=C2F)C3=C(C(CN(C)CC4=CC=CC=C4)=C(C5=CC=C(NC(C(C)C)=O)C=C5)S3)C1=O)OC(C)C
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
657.78
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: Imada T, Cho N, Imaeda T, Hayase Y, Sasaki S, Kasai S, Harada M, Matsumoto H, Endo S, Suzuki N, Furuya S. Design, synthesis, and structure-activity relationships of thieno[2,3-b]pyridin-4-one derivatives as a novel class of potent, orally active, non-peptide luteinizing hormone-releasing hormone receptor antagonists. J Med Chem. 2006 Jun 29;49(13):3809-25. PubMed PMID: 16789738.
2: Sasaki S, Cho N, Nara Y, Harada M, Endo S, Suzuki N, Furuya S, Fujino M. Discovery of a thieno[2,3-d]pyrimidine-2,4-dione bearing a p-methoxyureidophenyl moiety at the 6-position: a highly potent and orally bioavailable non-peptide antagonist for the human luteinizing hormone-releasing hormone receptor. J Med Chem. 2003 Jan 2;46(1):113-24. PubMed PMID: 12502365.
3: Koerber SC, Rizo J, Struthers RS, Rivier JE. Consensus bioactive conformation of cyclic GnRH antagonists defined by NMR and molecular modeling. J Med Chem. 2000 Mar 9;43(5):819-28. PubMed PMID: 10715150.
4: Cho N, Harada M, Imaeda T, Imada T, Matsumoto H, Hayase Y, Sasaki S, Furuya S, Suzuki N, Okubo S, Ogi K, Endo S, Onda H, Fujino M. Discovery of a novel, potent, and orally active nonpeptide antagonist of the human luteinizing hormone-releasing hormone (LHRH) receptor. J Med Chem. 1998 Oct 22;41(22):4190-5. PubMed PMID: 9784092.
