T-98475

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

MedKoo CAT#: 532810

CAS#: 199119-18-1

Description: T-98475 is a potent, orally active and non-peptide gonadotropin-releasing hormone (GnRH, LHRH) receptor antagonist (IC50 values are 0.2, 4.0 and 60 nM for human, monkey and rat GnRH receptors respectively). T-98475 inhibits LH release in vitro (IC50 = 100 nM) and reduces plasma LH concentration in castrated male cynomolgus monkeys.


Price and Availability

Size
Price

Size
Price

Size
Price

T-98475 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

img

Theoretical Analysis

MedKoo Cat#: 532810
Name: T-98475
CAS#: 199119-18-1
Chemical Formula: C37H37F2N3O4S
Exact Mass: 657.2473
Molecular Weight: 657.78
Elemental Analysis: C, 67.56; H, 5.67; F, 5.78; N, 6.39; O, 9.73; S, 4.87


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


Technical Data

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:
>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).

Harmonized System Code:
293490


References

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.