SB 297006 - 10mM in DMSO , CAS No.58816-69-6

CAS: 58816-69-6 Cat. No.: S424920 Formule: C₁₈H₁₈N₂O₅ Poids moléculaire: 342.35 Numéro CE: 694-538-9 PubChem CID: 9840971

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

N-Benzoyl-4-nitroaniline ethyl ester | Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate | AC-36264 | SB 297006 | AS-56057 | B6053 | BDBM50100041 | MFCD19690954 | HY-103361 | (S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate | EX-A2738 | (S)-2-Benzoylami

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Spécifications

Synonymes

N-Benzoyl-4-nitroaniline ethyl ester | Ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate | AC-36264 | SB 297006 | AS-56057 | B6053 | BDBM50100041 | MFCD19690954 | HY-103361 | (S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate | EX-A2738 | (S)-2-Benzoylami

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Highly potent, selective CCR3 antagonist (IC 50 = 2.5 μM). Displays 250-fold selectivity for CCR3 vs . CXCR1, CXCR2, CCR1 and CCR7 receptors. Potent inhibitor of Ca 2+ mobilization induced by eotaxin, eotaxin-2 and MCP-4 in human eosinophils (IC 50 values

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528767035

Sourires canoniques

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

IUPAC Name

ethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate

InChIKey

BEZXGSZPWXRHIN-INIZCTEOSA-N

INCHI

1S/C18H18N2O5/c1-2-25-18(22)16(19-17(21)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m0/s1

Isomères SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

PubChem CID

9840971

Poids moléculaire

342.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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: Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Amphetamines and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Fatty acid esters Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Amphetamine or derivatives - Benzamide - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

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

Cibles associées (humaines)

CCR3 Tchem C-C chemokine receptor type 3 (1 Activities)

Discover Target: CCR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CCR3 Tchem C-C chemokine receptor type 3 (1666 Activities)

Discover Target: CCR3

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

HepG2 (196354 Activities)

Explore this target

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Rotation spécifique [α]: -86° (C=1,EtOH)
• Point de fusion (°C): 121 °C
• Poids moléculaire: 342.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 342.122 Da
• Monoisotopic Mass: 342.122 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 463.000
• 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