TAPI 2 - ≥95%(HPLC) , CAS No.689284-12-6

CAS: 689284-12-6 Cat. No.: T288944 Formule: C₁₉H₃₇N₅O₅ Poids moléculaire: 415.54 PubChem CID: 444587

GRADE & PURITY ≥95%(HPLC)

Synonyms

SCHEMBL1847206 | (2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide | AKOS032962853 | TAPI-2 | NCGC00485671-01 | N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpent

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

SCHEMBL1847206 | (2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide | AKOS032962853 | TAPI-2 | NCGC00485671-01 | N-{(2r)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpent

Spécifications et pureté

≥95%(HPLC)

Mécanismes biochimiques et physiologiques

ADAM-17 (TACE) and MMP inhibitor (Ki= 120 nM at ADAM-17). Sensitizes cancer stem cells to the lethal effects of 5-FUin vitro. Blocks shedding of TNF-α from cell membranes.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥95%(HPLC)

Noms et identifiants

• Sourires canoniques: CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C
• IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• InChIKey: LMIQCBIEAHJAMZ-GZBFAFLISA-N
• INCHI: 1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)/t12-,13+,15+/m0/s1
• Isomères SMILES: C[C@@H](C(=O)NCCN)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
• WGK Allemagne: 3
• PubChem CID: 444587
• Poids moléculaire: 415.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives N-acyl amines Secondary carboxylic acid amides Hydroxamic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Hydroxamic acid - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble to 5 (mg/mL) in water
• Poids moléculaire: 415.500 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 415.279 Da
• Monoisotopic Mass: 415.279 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 574.000
• 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

Foire aux questions

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 689284-12-6, the molecular formula is C??H??N?O?, and the molecular weight is 415.54 g/mol. InChIKey LMIQCBIEAHJAMZ-GZBFAFLISA-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.