L-Histidine β-naphthylamide - powder , CAS No.7424-15-9

CAS: 7424-15-9 Cat. No.: L476436 分子式: C₁₆H₁₆N₄O 分子量: 280.32 EC番号: 231-052-4

GRADE & PURITY powder

Synonyms

HY-W142163 | A-naphthylamide | N-naphthalen-2-yl-L-histidinamide | AKOS024285193 | SMR001306768 | FD21690 | H-HIS-BETANA | Q27162554 | H-L-His-betaNA | SCHEMBL4292342 | H-His-bna | H-L-His-2-naphthylamide | CHEBI:90447 | H-His-NA | 1H-Imidazole-4-propanam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

HY-W142163 | A-naphthylamide | N-naphthalen-2-yl-L-histidinamide | AKOS024285193 | SMR001306768 | FD21690 | H-HIS-BETANA | Q27162554 | H-L-His-betaNA | SCHEMBL4292342 | H-His-bna | H-L-His-2-naphthylamide | CHEBI:90447 | H-His-NA | 1H-Imidazole-4-propanam

仕様と純度

powder

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

カノニカル・スマイル

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CC3=CN=CN3)N

IUPAC Name

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide

InChIKey

DKDILZBBFKZMRO-HNNXBMFYSA-N

INCHI

1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1

異性体SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CN=CN3)N

分子量

280.32

Reaxy-Rn

44307826

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44307826&ln=

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 Histidine 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: Histidine and derivatives
• Alternative Parents: Alpha amino acid amides Naphthalenes N-arylamides Aralkylamines Fatty amides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Histidine or derivatives - Alpha-amino acid amide - Naphthalene - N-arylamide - Aralkylamine - Fatty amide - Fatty acyl - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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）

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

Discover Target: EYA2

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 280.320 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.132 Da
• Monoisotopic Mass: 280.132 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 362.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 7424-15-9, the molecular formula is C16H16N4O, and the molecular weight is 280.32 g/mol. InChIKey DKDILZBBFKZMRO-HNNXBMFYSA-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.