5'-DMT-3'-TBDMS-Bz-rA

Basic Information

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CAS Number

81256-88-4

Molecular Formula

C44H49N5O7Si

Molecular Weight

787.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.23±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (7.7E-6 g/L) (25 ºC),

SMILES

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COC1=CC=C(C(C2=CC=CC=C2)(OC[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](N4C(N=CN=C5NC(C6=CC=CC=C6)=O)=C5N=C4)O3)C7=CC=C(OC)C=C7)C=C1

InChI

InChI=1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-35(55-42(37(38)50)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-29)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,45,46,48,51)/t35-,37-,38-,42-/m1/s1

InChIKey

QNPRMZLAAWKAPQ-GNECSJIWSA-N

LogP

7.7532000000000085

Topological Polar Surface Area

139.08 Å²

Hydrogen Bond Donor/Acceptor

2 / 12

Complexity

1250

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5'-DMT-3'-TBDMS-Bz-rA
N6-benzoyl-5'-O-DMT-3'-O-TBDMS-adenosine
N6-benzoyl-3'-O-t-butyldiMethylsilyl-5'-O-(4,4'-diMethoxytrityl)-adenosine
N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-3'-O-[(1,1-dimethylethyl)dimethylsilyl]adenosine
SB18253
N-{9-[(2R,3R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-[(tert-butyldimethylsilyl)oxy]-3-hydroxyoxolan-2-yl]-9H-purin-6-yl}benzamide
N-(9-((2R,3R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-3-hydroxytetrahydrofuran-2-yl)-9H-purin-6-yl)benzamid

MDL Number

MFCD00274103

FAQ

What regulatory guidelines apply to 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4)?

The 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) falls under the scope of various regulatory guidelines such as GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labelling. Additionally, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union, requiring manufacturers and importers to register substances with a weight >1 tonne per year. In the US, the FDA and EPA have specific requirements for the handling and disposal of this compound based on its properties.

Are there alternatives to 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) in synthesis?

There are several alternatives to 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) that can be used in synthesis, depending on specific requirements. Common substitutes include 5'-DMT-3'-TBDMS-dT and 5'-DMT-3'-TBDMS-dG, which are often used as nucleobase precursors in nucleic acid synthesis. Other alternatives include using unprotected nucleosides or different protecting groups, such as Bz (benzoyl) or other common groups like Trityl (Trt) or Boc (tert-butoxycarbonyl), based on the desired end-application.

What is the market or research trend for 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4)?

The market and research trends for 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) are closely aligned with advancements in nucleic acid research and development. This compound is widely used in the synthesis of oligonucleotides and RNA derivatives. Recent trends indicate an increased focus on gene therapy, CRISPR/Cas9 technology, and personalized medicine, which are driving the demand for such specialized reagents. Additionally, there is a growing interest in the development of new delivery systems and modifications for improved therapeutic efficacy.

How should waste containing 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) be handled?

Waste containing 5'-DMT-3'-TBDMS-Bz-rA (CAS: 81256-88-4) should be managed according to local and international regulations. Typically, this involves collecting the waste in appropriate containers, ensuring proper labeling, and disposing of it through specialized waste disposal services. Incineration is a common method for disposing of this waste, and it should be done under controlled conditions to minimize environmental impact. Additionally, environmental protection precautions such as monitoring air emissions and ensuring compliance with emission standards should be maintained throughout the waste disposal process.