TAPI-0 (TNF alpha processing inhibitor-0) - ≥95% , CAS No.143457-40-3

CAS: 143457-40-3 Cat. No.: T275637 Molecular Weight: 456.55 PubChem CID: 3035404

GRADE & PURITY ≥95%

Synonyms

oxopentyl]-3-(2-naphthalenyl)-L-alanyl-L-alaninamide | N-[2-[2-(Hydroxyamino)-2-oxoethyl]-4-methyl-1- oxopentyl]-3-(2-naphthalenyl)-L-alanyl-L-alaninamide | TNF-alpha Protease Inhibitor-0 | N~4~-Hydroxy-N~1~-{1-hydroxy-1-[(1-hydroxy-1-iminopropan-2-yl)imi

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

oxopentyl]-3-(2-naphthalenyl)-L-alanyl-L-alaninamide | N-[2-[2-(Hydroxyamino)-2-oxoethyl]-4-methyl-1- oxopentyl]-3-(2-naphthalenyl)-L-alanyl-L-alaninamide | TNF-alpha Protease Inhibitor-0 | N~4~-Hydroxy-N~1~-{1-hydroxy-1-[(1-hydroxy-1-iminopropan-2-yl)imi

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Inhibits TNF-α processing. Also a general matrix metalloprotease and TACE inhibitor.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(C)C(=O)N
• IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• InChIKey: CRCPLBFLOSEABN-VBSNWNEZSA-N
• INCHI: 1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)/t15-,19?,20-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC(C)C)CC(=O)NO
• PubChem CID: 3035404
• Molecular Weight: 456.55

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 Dipeptides

• 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: 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 Organonitrogen compounds Organic oxides 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 - Fatty acyl - Benzenoid - N-acyl-amine - Carboxamide group - Hydroxamic acid - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 10 mM and in acetic acid to 10 mM
• Molecular Weight: 456.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 456.237 Da
• Monoisotopic Mass: 456.237 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 698.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1