3’-O-t-Bulyldimethylsilyl thymidine - Moligand™,≥97% , CAS No.40733-27-5

CAS: 40733-27-5 Cat. No.: O697754 Molecular Weight: 356.49 EC Number: 881-339-9 PubChem CID: 453844

GRADE & PURITY Moligand™, ≥97%

Synonyms

3'-O-(TBDMS)Thymidine | 1-((2R,4S,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3’-O-t-Bulyldimethylsilylthymidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc.

Specifications

Synonyms

3'-O-(TBDMS)Thymidine | 1-((2R, 4S, 5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2, 4(1H, 3H)-dione

Specifications & Purity

Moligand™, ≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O[Si](C)(C)C(C)(C)C
• IUPAC Name: 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• InChIKey: QAPSNMNOIOSXSQ-YNEHKIRRSA-N
• INCHI: 1S/C16H28N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(12(9-19)22-13)23-24(5,6)16(2,3)4/h8,11-13,19H,7,9H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O[Si](C)(C)C(C)(C)C
• Alternate CAS: 40733-27-5
• PubChem CID: 453844
• Molecular Weight: 356.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Trialkylheterosilanes Tetrahydrofurans Ureas Silyl ethers Lactams Organic metalloid salts Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Trialkylheterosilane - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Lactam - Silyl ether - Urea - Organoheterosilane - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Alcohol - Organosilicon compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Associated Targets(Human)

C8166 (1658 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Moisture sensitive；Heat sensitive
• Molecular Weight: 356.490 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 356.177 Da
• Monoisotopic Mass: 356.177 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 555.000
• 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

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