Nafarelin - Moligand™, 10mM in Water , Agonist of GnRH 1 receptor, CAS No.76932-56-4, Agonist of GnRH 1 receptor

CAS: 76932-56-4 Cat. No.: N425891 Formule: C₆₆H₈₃N₁₇O₁₃•xC₂H₄O₂ Poids moléculaire: 1322.47+x(60.05) Numéro CE: 686-425-8

GRADE & PURITY Moligand™, 10mM in Water

Synonyms

1X0094V6JV | EPA Pesticide Chemical Code 071401 | Nafarelinum | HS-2018 | NAFARELIN [MI] | NAFARELIN | Nafarelina | Nafarelinum (Latin) | CCG-270673 | Nafareline | (S)-1-(((R)-2-((S)-2-((S)-2-((S)-2-((S)-3-(1H-imidazol-4-yl)-2-((S)-5-oxopyrrolidine-2-carb

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

1X0094V6JV | EPA Pesticide Chemical Code 071401 | Nafarelinum | HS-2018 | NAFARELIN [MI] | NAFARELIN | Nafarelina | Nafarelinum (Latin) | CCG-270673 | Nafareline | (S)-1-(((R)-2-((S)-2-((S)-2-((S)-2-((S)-3-(1H-imidazol-4-yl)-2-((S)-5-oxopyrrolidine-2-carb

Spécifications et pureté

Moligand™, 10mM in Water

Mécanismes biochimiques et physiologiques

Synthetic gonadotropin-releasing hormone (GnRH) agonist that stimulates secretion of luteinizing hormone (LH) and follicle-stimulating hormone (FSH). Repeated administration causes desensitization of pituitary GnRH receptors resulting in inhibition of gon

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of GnRH 1 receptor

Noms et identifiants

• Pubchem Sid: 528766365
• Sourires canoniques: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
• IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
• InChIKey: RWHUEXWOYVBUCI-ITQXDASVSA-N
• INCHI: 1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
• Isomères SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
• Poids moléculaire: 1322.47+x(60.05)
• Reaxy-Rn: 25294595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25294595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Classe Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Classe: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Serine and derivatives Tryptamines and derivatives Amphetamines and derivatives Naphthalenes 3-alkylindoles N-acylpyrrolidines Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Triptan - Serine or derivatives - 3-alkylindole - N-substituted-alpha-amino acid - Naphthalene - Amphetamine or derivatives - Alpha-amino acid or derivatives - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Imidazole - Azole - Primary carboxylic acid amide - Secondary carboxylic acid amide - Guanidine - Lactam - Carboxamide group - Carboximidamide - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

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

Cibles associées (humaines)

GNRHR Tclin Gonadotropin-releasing hormone receptor (0 Activities)

Discover Target: GNRHR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriétés chimiques et physiques

• Poids moléculaire: 1322.500 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 33
• Exact Mass: 1321.64 Da
• Monoisotopic Mass: 1321.64 Da
• Topological Polar Surface Area: 475.000 Ų
• Heavy Atom Count: 96
• Formal Charge: 0
• Complexity: 2730.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 1