Ropidoxuridine - Moligand™, ≥99% , CAS No.93265-81-7

CAS: 93265-81-7 Cat. No.: R650004 분자식: C₉H₁₁IN₂O₄ 분자량: 338.10 PubChem CID: 9840777

등급 & 순도 Moligand™, ≥99%

Synonyms

D08992 | MS-25135 | DB06485 | Ropidoxuridine [USAN] | IPdR | IPD-R | Ropidoxuridine [USAN:INN] | 1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-IODOPYRIMIDIN-2(1H)-ONE | ROPIDOXURIDINE [INN] | PDSP1_000658 | SCHEMBL8602575 | AKOS040742573 | UNII-3HX21A3SQF

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

D08992 | MS-25135 | DB06485 | Ropidoxuridine [USAN] | IPdR | IPD-R | Ropidoxuridine [USAN:INN] | 1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-5-IODOPYRIMIDIN-2(1H)-ONE | ROPIDOXURIDINE [INN] | PDSP1_000658 | SCHEMBL8602575 | AKOS040742573 | UNII-3HX21A3SQF

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

Ropidoxuridine (IPdR) is a halogenated thymidine analog and is a potential radiosensitizer for use in human tumors.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

순수함

≥99%

이름과 식별자

Pubchem Sid

528766972

정식 스마일

C1C(C(OC1N2C=C(C=NC2=O)I)CO)O

IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one

InChIKey

XIJXHOVKJAXCGJ-XLPZGREQSA-N

INCHI

1S/C9H11IN2O4/c10-5-2-11-9(15)12(3-5)8-1-6(14)7(4-13)16-8/h2-3,6-8,13-14H,1,4H2/t6-,7+,8+/m0/s1

이성체 SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C=NC2=O)I)CO)O

대체 CAS

93265-81-7

PubChem CID

9840777

MeSH 용어

1-(2-deoxy-beta-ribofuranosyl)-5-iodo-2-pyrimidinone;5-iodo-2-pyrimidinone 2' deoxyribonucleoside;5-iodo-2-pyrimidinone-2'-deoxyribose;IPdR;ropidoxuridine

분자량

338.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 분류 Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Halopyrimidines Hydropyrimidines Aryl iodides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Halopyrimidine - Pyrimidone - Aryl halide - Aryl iodide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 250 mg/mL (739.43 mM; Need ultrasonic)
• 분자량: 338.100 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 337.976 Da
• Monoisotopic Mass: 337.976 Da
• Topological Polar Surface Area: 82.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 357.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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