L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (2:5) | CAS No. 99016-42-9

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (2:5)

Basic Information

CAS Number

99016-42-9

Molecular Formula

C28H60N6O13S2

Molecular Weight

752.95 g/mol

AD

Basic Physical Properties

C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.O.O.O.O.O

InChI

InChI=1S/2C14H25N3O4S.5H2O/c2*1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5;;;;;/h2*7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19);5*1H2/t2*7-,8+;;;;;/m11...../s1

InChIKey

NUFKRGBSZPCGQB-FLBSXDLDSA-N

LogP

-3.9596999999999936

Topological Polar Surface Area

400.53999999999996 Ų

Hydrogen Bond Donor/Acceptor

20 / 19

Synonyms & References

English

  • D-Alaninamide, L-.alpha.-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, hydrate (2:5)
  • L-α-Aspartyl-N- (2,2,4,4-tetramethyl-3-thitanyl) –D-alanihamide (Alitame)
  • Alitanle
  • Alitame [usan]
  • Unii-6ki9m51jog
  • 3'-N-[[4-(acetylaMino)phenyl]sulfonyl]-3'-N-deMethylazithroMycin
  • Alitame (250 mg)
  • (3S)-3-amino-4-[[(1R)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethylthiet an-3-yl)amino]ethyl]amino]-4-oxo-butanoic acid pentahydrate
  • AlitaMe
  • L-α-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hemi(pentahydrate)
  • Alitame Hydrate

FAQ

What are the physical and chemical properties of L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9)?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) is a white crystalline solid with a molecular weight of approximately 474.5 g/mol. It has a high solubility in water and moderate solubility in ethanol. The compound is relatively stable under normal conditions but can degrade over time in the presence of moisture or heat. It is not reactive under standard laboratory conditions but may undergo hydrolysis in the presence of strong acids or bases.

How is L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) typically synthesized?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) is synthesized through a multi-step process involving the condensation of L-aspartic acid, 2,2,4,4-tetramethyl-3-thienylalanine, and D-alanine. The reaction typically proceeds under mild conditions using a catalytic amount of a suitable base like triethylamine. The product is purified by recrystallization from water, yielding a hydrate with a 2:5 ratio of the compound to water.

What industries use L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9)?

L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) is primarily used in the pharmaceutical industry for the development of novel drugs. It also finds applications in the polymer industry as a monomer for the synthesis of biocompatible polymers. Additionally, it has potential uses in the semiconductor industry for the fabrication of electronic devices and in the sensing industry for the development of chemical sensors due to its unique chemical structure.

What precautions should be taken when handling L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9)?

When handling L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9), it is important to wear appropriate personal protective equipment (PPE), such as gloves and safety goggles, and to ensure the process is carried out in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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