PD 154740 - Moligand™ , Antagonist of NK 3 receptor, CAS No.159614-69-4, Antagonist of NK 3 receptor

CAS: 159614-69-4 Cat. No.: P612654 PubChem CID: 190945

GRADE & PURITY Moligand™

Synonyms

Q27088265 | DTXSID60936139 | 2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(8-hydroxyoctyl)-alpha-methylphenylalanyl]-3-phenylpropanimidic acid | (1-(1-(8-Hydroxyoctylcarbamoyl)-1-methyl-2-phenylethylcarbamoyl)-2-phenylethyl)carbamic acid tert-butyl est

Storage

Room temperature

Specifications

同義語

Q27088265 | DTXSID60936139 | 2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(8-hydroxyoctyl)-alpha-methylphenylalanyl]-3-phenylpropanimidic acid | (1-(1-(8-Hydroxyoctylcarbamoyl)-1-methyl-2-phenylethylcarbamoyl)-2-phenylethyl)carbamic acid tert-butyl est

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of NK 3 receptor

名前と識別子

カノニカル・スマイル

OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C

IUPAC Name

tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

InChIKey

LLSVPRQAIHTVBK-QVWWMRLHSA-N

INCHI

1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-29(38)32(4,24-26-19-13-10-14-20-26)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,33,36H,5-8,15-16,21-24H2,1-4H3,(H,34,39)(H,35,37,38)/t27-,32+/m0/s1

異性体SMILES

C[C@@](CC1=CC=CC=C1)(C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)NCCCCCCCCO

PubChem CID

190945

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid amides Amphetamines and derivatives Phenylpropanes Aralkylamines N-unsubstituted carboxylic acid imides Dicarboximides Carbamate esters Organic carbonic acids and derivatives Dialkylamines Alkanolamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Phenylpropane - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Carbonic acid derivative - Secondary amine - Secondary aliphatic amine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

関連ターゲット（人間）

TACR3 Tchem Neuromedin-K receptor (1 Activities)

Discover Target: TACR3

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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159614-69-4. InChIKey LLSVPRQAIHTVBK-QVWWMRLHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.