2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate | CAS No. 124832-26-4

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate

Basic Information

CAS Number

124832-26-4

Molecular Formula

C13H20N6O4

Molecular Weight

324.34 g/mol

AD

Basic Physical Properties

CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N

InChI

InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1

InChIKey

HDOVUKNUBWVHOX-QMMMGPOBSA-N

LogP

-0.7975999999999985

Topological Polar Surface Area

151.14000000000004 Ų

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

483

Synonyms & References

English

  • HSDB 8084
  • BW-256U
  • Valaciclovir [INN:BAN]
  • 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
  • (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate
  • L-VALINE 2-((2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHOXY)ETHYL ESTER
  • UNII-MZ1IW7Q79D
  • 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
  • Valaciclovir;Val-ACV; Valtrex; Zelitrex
  • MZ1IW7Q79D
  • Valacyclover Hydrochloric
  • VALACYCLOVIR [VANDF]
  • AKOS025149468
  • HMS2234I15
  • Valaciclovir (INN)
  • Zelitrex
  • Valaciclovir, Valtrex
  • SMR000752514
  • 256U87 HCl
  • (S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate
  • valacyclovir hydrochloride (monohydrate)
  • BRD-K46435977-003-03-8
  • L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
  • EN300-150220
  • CHEBI:35854
  • 124832-26-4
  • NS00009305
  • A805302
  • NCGC00178638-05
  • J05AB11
  • HDOVUKNUBWVHOX-QMMMGPOBSA-N

MDL Number

MFCD00866955

Customs Code

3002909099

FAQ

What are the physical and chemical properties of 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate (CAS: 124832-26-4)?

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate is a white crystalline solid with a molecular weight of approximately 367.35 g/mol. It is slightly soluble in water and has a pKa of 10.0. The compound is reactive towards nucleophiles and can undergo nucleophilic substitution reactions.

How is 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate (CAS: 124832-26-4) typically synthesized?

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate is synthesized via a multi-step process involving the coupling of L-valine with 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethanoyl chloride, followed by a nucleophilic substitution reaction. The process typically involves the use of catalytic amounts of a suitable base and occurs with good yield and high selectivity.

What industries use 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate (CAS: 124832-26-4)?

2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate is primarily used in the pharmaceutical industry for developing drug candidates. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for developing biosensors.

What precautions should be taken when handling 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate (CAS: 124832-26-4)?

When handling 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. In case of a spill, immediately clean up with appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal.

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