C5249

Cetrorelix acetate

≥98% (HPLC)

• Synonym(s): Cetrotide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide acetic acid salt, NS-75A, SB-75
• Empirical Formula (Hill Notation): C₇₀H₉₂ClN₁₇O₁₄ · xC₂H₄O₂
• CAS Number: 145672-81-7
• Molecular Weight: 1431.04 (free base basis)
• MDL number: MFCD08459466
• UNSPSC Code: 51111800
• PubChem Substance ID: 329775083
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: solid
• solubility: methanol: 10%
• originator: Merck & Co., Inc., Kenilworth, NJ, U.S.
• storage temp.: −20°C
• SMILES string: CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H](Cc4ccc5ccccc5c4)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O
• InChI: 1S/C70H92ClN17O14.C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;1-2(3)4/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1
• InChI key: KFEFLCOCAHJBEA-ANRVCLKPSA-N
• Gene Information: human ... GNRHR(2798)

Description

Application

Cetrorelix, a luteinizing hormone releasing hormone receptor (LHRHR) antagonist, was used to study its safety, mechanism of action, metabolism, and efficacy as a therapeutic agent for the treatment of blood cancers such as multiple myeloma (MM). Cetrorelix is used to evaluate its effects on a wide range of physiological processes and malignancies that involve luteinizing hormone releasing hormone receptor signaling pathways involving processes such as steroidogenesis.

Biochem/physiol Actions

Cetrorelix acetate is a luteinizing hormone releasing hormone receptor antagonist. It causes prepubertal reduction in bone modeling, bone density and bone strength comparable to post-menopausal bone loss.

Features and Benefits

This compound was developed by Merck & Co., Inc., Kenilworth, NJ, U.S.. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• pictograms: GHS08
• signalword: Danger
• hcodes: H360F
• pcodes: P201 - P280 - P308 + P313
• Hazard Classifications: Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable