Goserelin acetate - ≥98% , AGONIST of Gonadotropin-releasing hormone receptor agonist, CAS No.145781-92-6, AGONIST of Gonadotropin-releasing hormone receptor agonist

CAS: 145781-92-6 Cat. No.: G288355 Molecular Weight: 1329.485 EC Number: 652-995-1 PubChem CID: 16052011

GRADE & PURITY ≥98%

Synonyms

LARSGJZNVQJRMD-UHFFFAOYSA-N | GOSERELIN ACETATE [ORANGE BOOK] | D00573 | NSC606864 | 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid | Goserelin ac

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

LARSGJZNVQJRMD-UHFFFAOYSA-N | GOSERELIN ACETATE [ORANGE BOOK] | D00573 | NSC606864 | 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2, 6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid | Goserelin ac

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Synthetic gonadotropin-releasing hormone (GnRH) analog that behaves as an agonist at the GnRH receptors. Stimulates gonadotropin and sex hormone release in the short term, and causes suppression with continued administration. Displays antiproliferative ac

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Mechanism of action

AGONIST of Gonadotropin-releasing hormone receptor agonist

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199026
• Canonical Smiles: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O
• IUPAC Name: acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-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: IKDXDQDKCZPQSZ-JHYYTBFNSA-N
• INCHI: 1S/C59H84N18O14.C2H4O2/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38;1-2(3)4/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90);1H3,(H,3,4)/t38-,39-,40-,41-,42-,43-,44-,45+,46-;/m0./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O
• WGK Germany: 3
• RTECS: OK6369800
• Alternate CAS: 65807-02-5
• PubChem CID: 16052011
• Molecular Weight: 1329.485

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Tryptamines and derivatives Alpha amino acid amides Serine and derivatives 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones N-acyl amines Substituted pyrroles Semicarbazides Hydrazinecarboxamides Imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Guanidines Carboxylic acid hydrazides Secondary carboxylic acid amides Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Organopnictogen compounds Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - 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 - Serine or derivatives - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Pyrrolidone - 2-pyrrolidone - N-acyl-amine - Substituted pyrrole - Pyrrole - Pyrrolidine - Semicarbazide - Imidazole - Tertiary carboxylic acid amide - Azole - Hydrazinecarboxamide - Heteroaromatic compound - Carboxamide group - Carboxylic acid hydrazide - Guanidine - Lactam - Secondary carboxylic acid amide - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

Associated Targets(Human)

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Molecular Weight: 1329.500 g/mol
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 32
• Exact Mass: 1328.66 Da
• Monoisotopic Mass: 1328.66 Da
• Topological Polar Surface Area: 533.000 Ų
• Heavy Atom Count: 95
• Formal Charge: 0
• Complexity: 2590.000
• 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: 2

XLogP3