DMT-2'Fluoro-DG(IB) Amidite - ≥99%(Mixture of isomers) , CAS No.144089-97-4

CAS: 144089-97-4 Cat. No.: D651230 Fórmula: C₄₄H₅₃FN₇O₈P Peso molecular: 857.91 Número CE: 890-260-9 PubChem CID: 135448972

GRADE & PURITY ≥99%(Mixture of isomers)

Synonyms

2'-FLUORO-N2-ISOBUTYRYL-5'-O-DMT-2'-DEOXYGUANOSINE-3'-CE-PHOSPHORAMIDITE | 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxy-2'-fluoro-N-isobutyrylguanosine | (2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

DMT-2'Fluoro-DG(IB) Amidite (2'-F-ibu-dG Phosphoramidite) is a nucleoside that can be used in the preparation of 4'-modified 2'-deoxy-2'-fluorouridine.

Form:Solid

Specifications

Sinónimos

2'-FLUORO-N2-ISOBUTYRYL-5'-O-DMT-2'-DEOXYGUANOSINE-3'-CE-PHOSPHORAMIDITE | 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxy-2'-fluoro-N-isobutyrylguanosine | (2R,3R,4R,5R)-2-((bis(4-methoxyphenyl)(phenyl

Especificações e pureza

≥99%(Mixture of isomers)

Mecanismos bioquímicos e fisiológicos

DMT-2'Fluoro-DG(IB) Amidite (2'-F-ibu-dG Phosphoramidite) is a nucleoside that can be used in the preparation of 4'-modified 2'-deoxy-2'-fluorouridine.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%(Mixture of isomers)

Nomes e identificadores

Pubchem Sid

528764209

Sorrisos canónicos

CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)F

IUPAC Name

N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

InChIKey

KJFUMXZZVYMQEU-AOCJBPQJSA-N

INCHI

1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60-61(58-24-12-23-46)52(28(3)4)29(5)6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12,24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1

SMILES isoméricas

CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)F

PubChem CID

135448972

Peso molecular

857.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Ribonucleoside phosphoramidites 6-oxopurines Hypoxanthines Benzylethers Phenoxy compounds Anisoles Methoxybenzenes N-arylamides Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Ribonucleoside phosphoramidite - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Benzylether - Phenoxy compound - Phenol ether - N-arylamide - Anisole - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Oxolane - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (116.56 mM; Need ultrasonic)
• Sensibilidade: Heat sensitive; Light sensitive; Moisture sensitive
• Peso molecular: 857.900 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 19
• Exact Mass: 857.368 Da
• Monoisotopic Mass: 857.368 Da
• Topological Polar Surface Area: 171.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 1480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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