p-SCN-Bn-deferoxamine - ≥98% , CAS No.1222468-90-7

CAS: 1222468-90-7 Cat. No.: B1249216 Summenformel: C₃₃H₅₂N₈O₈S₂ Molekulargewicht: 752.94 EG-Nummer: 967-383-2

GRADE & PURITY ≥98%

Synonyms

Berdoxam | TMK6ND3QJH | UNII-TMK6ND3QJH | p-Isothiocyanatobenzyl-desferrioxamine | N1-HYDROXY-N1-(5-(4-(HYDROXY(5-(3-(4-ISOTHIOCYANATOPHENYL)THIOUREIDO)PENTYL)AMINO)-4-OXOBUTANAMIDO)PENTYL)-N4-(5-(N-HYDROXYACETAMIDO)PENTYL)SUCCINAMIDE | BUTANEDIAMIDE, N4-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Übersicht

P-SCN-Bn-deferoxamine is a bifunctional chelating agent that can link radioactive metal nuclides (such as Zr-89) and biological targeting molecules (such as antibodies). P-SCN-Bn-deferoxamine can be used for the research of immune PET imaging.

Specifications

Synonyme

Berdoxam | TMK6ND3QJH | UNII-TMK6ND3QJH | p-Isothiocyanatobenzyl-desferrioxamine | N1-HYDROXY-N1-(5-(4-(HYDROXY(5-(3-(4-ISOTHIOCYANATOPHENYL)THIOUREIDO)PENTYL)AMINO)-4-OXOBUTANAMIDO)PENTYL)-N4-(5-(N-HYDROXYACETAMIDO)PENTYL)SUCCINAMIDE | BUTANEDIAMIDE, N4-

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=S)NC1=CC=C(C=C1)N=C=S)O)O)O

IUPAC Name

N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(4-isothiocyanatophenyl)carbamothioylamino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide

InChIKey

HBAYEVATSBINBX-UHFFFAOYSA-N

INCHI

1S/C33H52N8O8S2/c1-26(42)39(47)22-8-2-5-19-34-29(43)15-17-31(45)40(48)23-9-3-6-20-35-30(44)16-18-32(46)41(49)24-10-4-7-21-36-33(51)38-28-13-11-27(12-14-28)37-25-50/h11-14,47-49H,2-10,15-24H2,1H3,(H,34,43)(H,35,44)(H2,36,38,51)

Molekulargewicht

752.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass N-phenylthioureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: N-phenylthioureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylthioureas
• Alternative Parents: N-acyl amines Acetohydroxamic acids Acetamides Thioureas Secondary carboxylic acid amides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylthiourea - Fatty amide - N-acyl-amine - Fatty acyl - Acetohydroxamic acid - Acetamide - Carboxamide group - Hydroxamic acid - Isothiocyanate - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 752.900 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 26
• Exact Mass: 752.335 Da
• Monoisotopic Mass: 752.335 Da
• Topological Polar Surface Area: 280.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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