TAPI 1 - ≥95%(HPLC) , CAS No.163847-77-6

CAS: 163847-77-6 Cat. No.: T288589 分子式: C₂₆H₃₇N₅O₅ 分子量: 499.61 PubChem CID: 10458621

GRADE & PURITY ≥95%(HPLC)

Synonyms

EX-A4301 | TAP 1 | L-ALANINAMIDE, N-(2-(2-(HYDROXYAMINO)-2-OXOETHYL)-4-METHYL-1-OXOPENTYL)-3-(2-NAPHTHALENYL)-L-ALANYL-N-(2-AMINOETHYL)-, (R)- | SCHEMBL1844794 | (R)-N1-((S)-1-(((S)-1-((2-Aminoethyl)amino)-1-oxopropan-2-yl)amino)-3-(naphthalen-2-yl)-1-oxo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

EX-A4301 | TAP 1 | L-ALANINAMIDE, N-(2-(2-(HYDROXYAMINO)-2-OXOETHYL)-4-METHYL-1-OXOPENTYL)-3-(2-NAPHTHALENYL)-L-ALANYL-N-(2-AMINOETHYL)-, (R)- | SCHEMBL1844794 | (R)-N1-((S)-1-(((S)-1-((2-Aminoethyl)amino)-1-oxopropan-2-yl)amino)-3-(naphthalen-2-yl)-1-oxo

仕様と純度

≥95%(HPLC)

生化学的・生理学的メカニズム

TACE/ADAM-17 and MMP inhibitor. Blocks shedding of TNF from cell membranes. Reduces pain-associated behavior in mice with a constructive mononeuropathy.

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。

アクションタイプ

INHIBITOR

純度

≥95%(HPLC)

名前と識別子

カノニカル・スマイル

CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)NCCN

IUPAC Name

(2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

InChIKey

AWNBSWDIOCXWJW-WTOYTKOKSA-N

INCHI

1S/C26H37N5O5/c1-16(2)12-21(15-23(32)31-36)25(34)30-22(26(35)29-17(3)24(33)28-11-10-27)14-18-8-9-19-6-4-5-7-20(19)13-18/h4-9,13,16-17,21-22,36H,10-12,14-15,27H2,1-3H3,(H,28,33)(H,29,35)(H,30,34)(H,31,32)/t17-,21+,22-/m0/s1

異性体SMILES

C[C@@H](C(=O)NCCN)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)CC(=O)NO

PubChem CID

10458621

分子量

499.61

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 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Naphthalenes N-acyl amines Secondary carboxylic acid amides Hydroxamic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Hydroxamic acid - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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

化学的性質と物理的性質

• 溶解度: Soluble to 10 (mg/mL) in DMSO and to 10 (mg/mL) in PBS
• 分子量: 499.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 499.279 Da
• Monoisotopic Mass: 499.279 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 746.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 163847-77-6, the molecular formula is C??H??N?O?, and the molecular weight is 499.61 g/mol. InChIKey AWNBSWDIOCXWJW-WTOYTKOKSA-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.