SB 328437 (DMSO solution) - Moligand™ , Antagonist of CCR3, CAS No.247580-43-4, Antagonist of CCR3

CAS: 247580-43-4 Cat. No.: S275358 Summenformel: C₂₁H₁₈N₂O₅ Molekulargewicht: 378.38 EG-Nummer: 694-458-4 PubChem CID: 10474776

GRADE & PURITY Moligand™

Synonyms

F81757 | AKOS040745353 | HMS3414E05 | SCHEMBL3930225 | MS-26166 | SB 328437 | L-Phenylalanine, N-(1-naphthalenylcarbonyl)-4-nitro-, methyl ester | BDBM50100021 | DTXSID30440571 | N-(1-NAPHTHALENYLCARBONYL)-4-NITRO-L-PHENYLALANINE METHYL ESTER | methyl (2S

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Shipped at Room Temperature. Store at -20°C. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyme

F81757 | AKOS040745353 | HMS3414E05 | SCHEMBL3930225 | MS-26166 | SB 328437 | L-Phenylalanine, N-(1-naphthalenylcarbonyl)-4-nitro-, methyl ester | BDBM50100021 | DTXSID30440571 | N-(1-NAPHTHALENYLCARBONYL)-4-NITRO-L-PHENYLALANINE METHYL ESTER | methyl (2S

Spezifikationen & Reinheit

Moligand™

Storage

Protected from light,Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of CCR3

Namen und Kennungen

• Kanonisches Lächeln: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32
• IUPAC Name: methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate
• InChIKey: VMFGCGRAIBLAFY-IBGZPJMESA-N
• INCHI: 1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1
• Isomere SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32
• PubChem CID: 10474776
• Molekulargewicht: 378.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

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

Zugehörige Ziele (menschlich)

CCR3 Tchem C-C chemokine receptor type 3 (11 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

Homo sapiens (32628 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 378.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 378.122 Da
• Monoisotopic Mass: 378.122 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 568.000
• 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