Ectoine
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Ectoine
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CAS No:
96702-03-3
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Formula:
C6H10N2O2
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Chemical Name:
Ectoine
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Synonyms:
4-Pyrimidinecarboxylic acid,3,4,5,6-tetrahydro-2-methyl-,(4S)-;4-Pyrimidinecarboxylic acid,1,4,5,6-tetrahydro-2-methyl-,(S)-;4-Pyrimidinecarboxylic acid,1,4,5,6-tetrahydro-2-methyl-,(4S)-;(4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid;Ectoine;Ectoin;RonaCare;NSC 614616;Pyrostatin B;Pyrostatine B;(S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid;(4S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid;(4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid;134522-10-4;162763-51-1
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CAS No:
Description
Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare[1]. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[2].
Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a carboxamidine, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of an ectoinate. It is a tautomer of an ectoine zwitterion.
Characteristics
61.7
-0.8
1.37
~280°
381.5°C at 760 mmHg
184.5±25.9 °C
1.597
methanol: 20 mg/mL, clear, colorless
Ectoine Use and Manufacturing
Stabilizer in biotechnological processes; protects the taste of food during dehydration; moisturizer in cosmetics; protects skin against photoaging and formation of sunburn cells.
Computed Properties
Molecular Weight:142.16
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.074227566
Monoisotopic Mass:142.074227566
Topological Polar Surface Area:61.7
Heavy Atom Count:10
Complexity:177
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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