Cetrorelix Acetate - ≥99% , ANTAGONIST of Gonadotropin-releasing hormone receptor antagonist, CAS No.145672-81-7, ANTAGONIST of Gonadotropin-releasing hormone receptor antagonist

CAS: 145672-81-7 Cat. No.: C684843 Peso molecular: 1431.04（free basis） Número EC: 685-963-0 PubChem CID: 25078429

GRADE & PURITY ≥99%

Synonyms

SB-75 acetate | Cetrorelix

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Cetrorelix Acetate (SB-75 acetate) is a potent gonadotropin-releasing hormone (GnRH) receptor antagonist with an IC50 of 1.21 nM

Specifications

Sinónimos

SB-75 acetate | Cetrorelix

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Potent gonadotropin-releasing hormone (GnRH) receptor antagonist (KD= 0.202 nM, IC50= 1.21 nM). Suppresses production of luteinizing hormone (LH) and follicle-stimulating hormone (FSH) from the pituitary gland, which inhibits ovulation. Exhibits antiproli

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

ANTAGONIST of Gonadotropin-releasing hormone receptor antagonist

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 528776017
• Sonrisas canónicas: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCNC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;acetic acid
• InChIKey: KFEFLCOCAHJBEA-ANRVCLKPSA-N
• 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
• Isómeros SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O
• WGK Alemania: 3
• PubChem CID: 25078429
• Peso molecular: 1431.04（free basis）

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Clase Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Clase: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Phenylalanine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives Naphthalenes Amphetamines and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides N-acyl amines Pyridines and derivatives Acetamides Heteroaromatic compounds Tertiary carboxylic acid amides Ureas Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Carboxylic acids Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organopnictogen compounds Primary alcohols Hydrocarbon derivatives Imines
• Molecular Framework: Not available
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Naphthalene - N-substituted-alpha-amino acid - Amphetamine or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyridine - Tertiary carboxylic acid amide - Pyrrolidine - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Carbonic acid derivative - Primary carboxylic acid amide - Carboxamide group - Guanidine - Organoheterocyclic compound - Carboximidamide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Imine - Organic oxide - Carbonyl group - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: acetate salt - oligopeptide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Light and moisture sensitive
• Peso molecular: 1491.100 g/mol
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 38
• Exact Mass: 1489.69 Da
• Monoisotopic Mass: 1489.69 Da
• Topological Polar Surface Area: 535.000 Ų
• Heavy Atom Count: 106
• Formal Charge: 0
• Complexity: 2870.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Aoxue Wang, Yujia Yan, Yuyao Jiang, Yanru Guan, Zexin Wen, Shengli Zhou, Yanmei Xu, Haisong Cui, Miqi Jin, Wenjun Gui, Shuying Li.  (2026)  Crosstalk with the cholinergic pathway may be responsible for chlorpyrifos-induced reproductive toxicity in fish.  AQUATIC TOXICOLOGY,      [PMID:41534335] [10.1016/j.aquatox.2026.107710]