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MedKoo Cat#: 413586 | Name: Detirelix

Description:

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

Detirelix is an LHRH antagonist.

Chemical Structure

Detirelix
Detirelix
CAS#89662-30-6 (free base)

Theoretical Analysis

MedKoo Cat#: 413586

Name: Detirelix

CAS#: 89662-30-6 (free base)

Chemical Formula: C78H105ClN18O13

Exact Mass: 1536.7797

Molecular Weight: 1538.26

Elemental Analysis: C, 60.90; H, 6.88; Cl, 2.30; N, 16.39; O, 13.52

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 #
102583-46-0 (acetate) 89662-30-6 (free base)
Synonym
Detirelix; BRN6564671; BRN-6564671; BRN 6564671
IUPAC/Chemical Name
D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N(sup 6)-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-L-arginyl-L-prolyl-
InChi Key
OFQNFLLLCMQNEP-MIPXGPCFSA-N
InChi Code
InChI=1S/C78H105ClN18O13/c1-7-83-78(84-8-2)86-34-14-13-21-58(68(102)92-60(37-45(3)4)69(103)91-59(22-15-35-85-77(81)82)76(110)97-36-16-23-66(97)75(109)88-46(5)67(80)101)90-71(105)62(40-49-27-32-55(100)33-28-49)94-74(108)65(44-98)96-73(107)64(42-53-43-87-57-20-12-11-19-56(53)57)95-72(106)63(39-48-25-30-54(79)31-26-48)93-70(104)61(89-47(6)99)41-50-24-29-51-17-9-10-18-52(51)38-50/h9-12,17-20,24-33,38,43,45-46,58-66,87,98,100H,7-8,13-16,21-23,34-37,39-42,44H2,1-6H3,(H2,80,101)(H,88,109)(H,89,99)(H,90,105)(H,91,103)(H,92,102)(H,93,104)(H,94,108)(H,95,106)(H,96,107)(H4,81,82,85)(H2,83,84,86)/t46-,58-,59+,60+,61-,62+,63-,64-,65+,66+/m1/s1
SMILES Code
C[C@H](C(N)=O)NC([C@H]1N(C([C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@@H](CCCC/N=C(NCC)/NCC)NC([C@H](CC2=CC=C(O)C=C2)NC([C@H](CO)NC([C@@H](CC3=CNC4=C3C=CC=C4)NC([C@@H](CC5=CC=C(Cl)C=C5)NC([C@@H](CC6=CC=C7C=CC=CC7=C6)NC(C)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC1)=O
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
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 1,538.26 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
1: Chan RL, Ho W, Webb AS, LaFargue JA, Nerenberg CA. Disposition of detirelix, a potent luteinizing hormone-releasing hormone antagonist, in rats and monkeys. Pharm Res. 1988 Jun;5(6):335-40. doi: 10.1023/a:1015947325283. PMID: 3072556. 2: Andreyko JL, Monroe SE, Marshall LA, Fluker MR, Nerenberg CA, Jaffe RB. Concordant suppression of serum immunoreactive luteinizing hormone (LH), follicle-stimulating hormone, alpha subunit, bioactive LH, and testosterone in postmenopausal women by a potent gonadotropin releasing hormone antagonist (detirelix). J Clin Endocrinol Metab. 1992 Feb;74(2):399-405. doi: 10.1210/jcem.74.2.1370507. PMID: 1370507. 3: Chester AE, Fairchild DG, Depass LR. Acute and subchronic toxicity studies with detirelix, a luteinizing hormone-releasing hormone antagonist, in the rat and monkey. Fundam Appl Toxicol. 1991 Oct;17(3):505-18. doi: 10.1016/0272-0590(91)90201-e. PMID: 1794654. 4: Bennett DB, Tyson E, Nerenberg CA, Mah S, de Groot JS, Teitelbaum Z. Pulmonary delivery of detirelix by intratracheal instillation and aerosol inhalation in the briefly anesthetized dog. Pharm Res. 1994 Jul;11(7):1048-55. doi: 10.1023/a:1018999707476. PMID: 7937547. 5: Marshall LA, Fluker MR, Jaffe RB, Monroe SE. Inhibition of follicular development by a potent antagonistic analog of gonadotropin-releasing hormone (detirelix). J Clin Endocrinol Metab. 1991 Apr;72(4):927-33. doi: 10.1210/jcem-72-4-927. PMID: 2005220. 6: Nerenberg C, LaFargue J, Webb A, Chan R, Kushinsky S. Radioimmunoassay of detirelix ([ N-Ac-D-Nal(2)1,D-p-Cl-Phe2,D-Trp3, D-hArg(Et)6(2),D-Ala10]-luteinizing hormone-releasing hormone) in plasma or serum. J Immunoassay. 1988;9(3-4):245-55. doi: 10.1080/01971528808053215. PMID: 3069871. 7: Fluker MR, Marshall LA, Monroe SE, Jaffe RB. Variable ovarian response to gonadotropin-releasing hormone antagonist-induced gonadotropin deprivation during different phases of the menstrual cycle. J Clin Endocrinol Metab. 1991 Apr;72(4):912-9. doi: 10.1210/jcem-72-4-912. PMID: 2005218. 8: Powell MF, Sanders LM, Rogerson A, Si V. Parenteral peptide formulations: chemical and physical properties of native luteinizing hormone-releasing hormone (LHRH) and hydrophobic analogues in aqueous solution. Pharm Res. 1991 Oct;8(10):1258-63. doi: 10.1023/a:1015847628047. PMID: 1839059. 9: Pavlou SN, Wakefield GB, Island DP, Hoffman PG, LePage ME, Chan RL, Nerenberg CA, Kovacs WJ. Suppression of pituitary-gonadal function by a potent new luteinizing hormone-releasing hormone antagonist in normal men. J Clin Endocrinol Metab. 1987 May;64(5):931-6. doi: 10.1210/jcem-64-5-931. PMID: 3104388. 10: Schreier H, McNicol KJ, Bennett DB, Teitelbaum Z, Derendorf H. Pharmacokinetics of detirelix following intratracheal instillation and aerosol inhalation in the unanesthetized awake sheep. Pharm Res. 1994 Jul;11(7):1056-9. doi: 10.1023/a:1018951824315. PMID: 7937548.