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Asperphenamate - ≥98.0%, high purity , CAS No.63631-36-7

    Grade & Purity:
  • ≥98%
In stock
Item Number
A646279
Grouped product items
SKU Size
Availability
Price Qty
A646279-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$486.90
A646279-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$670.90

Basic Description

Synonyms 2H4MD59YVT | anabellamide | L-PHENYLALANINE, N-BENZOYL-, 2-(BENZOYLAMINO)-3-PHENYLPROPYL ESTER, (S)- | N-BENZOYL-L-PHENYLALANINOL N-BENZOYL-L-PHENYLALANINATE | NCGC00170024-01 | NSC-306231 | L-PHENYLALANINE, N-BENZOYL-, (2S)-2-(BENZOYLAMINO)-3-PHENYLPROPY
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Asperphenamate, a fungal metabolite of Aspergillus flatiipes with anti-cancer effect, exhibits IC 50 values of 92.3 μM, 96.5 μM and 97.9 μM in T47D, MDA-MB-231 and HL-60 cells, respectively.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Asperphenamate, a fungal metabolite of Aspergillus flatiipes with anti-cancer effect, exhibits IC 50 values of 92.3 μM, 96.5 μM and 97.9 μM in T47D, MDA-MB-231 and HL-60 cells, respectively.

In Vitro

Asperphenamate can inhibit cancer cell proliferation by fully inducing autophagy. asperphenamate showed inhibition effects against cathepsin L. At the same time, it also displayed weak inhibitory ability against cathepsin S. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class 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 N-acyl-alpha amino acids and derivatives  Hippuric acids and derivatives  Alpha amino acid esters  Amphetamines and derivatives  Benzoyl derivatives  Fatty acid esters  Secondary carboxylic acid amides  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Phenylalanine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description 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

Associated Targets(Human)

MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bel-7402 (4577 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
INCHI InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,35)(H,34,36)/t28-,29-/m0/s1
InChIKey CVULDJMCSSACEO-VMPREFPWSA-N
Smiles C1=CC=C(C=C1)CC(COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
Isomeric SMILES C1=CC=C(C=C1)C[C@@H](COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
PubChem CID 173952
Molecular Weight 506.59

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 100 mg/mL (197.40 mM; Need ultrasonic)
Molecular Weight 506.600 g/mol
XLogP3 6.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 12
Exact Mass 506.221 Da
Monoisotopic Mass 506.221 Da
Topological Polar Surface Area 84.500 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 732.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Solution Calculators

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