• Bulletin of the Korean Chemical Society
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• 제28권1호
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• pp.89-94
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• 2007

The new pinane derivative containing unique multifused ring system was synthesized. The crystal, molecular and electronic structure of the title compound has been determined. Both pinane ring systems have the same conformation. The five-membered oxazolidine ring exists in twisted chair conformation. The structure is expanded through O-H…O hydrogen bond to semiinfinite hydrogen-bonded chain. The bond lengths and angles in the optimised structure are similar to the experimental ones. The CH3 and CH2 groups (except this of oxazolidine ring) are negatively charged whereas the CH groups are positively charged. The largest negative potential is on the oxygen atoms. The C-N natural bond orbitals are polarised towards the nitrogen atom (ca. 61% at N) whereas the C-O bond orbitals are polarised towards the oxygen atom (ca. 67% at O). It is consistent with the charges on the nitrogen and oxygen atom of oxazolidine ring and the direction of the dipole moment vector (3.08 Debye).

• 약학회지
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• 제16권2호
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• pp.85-89
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• 1972

4,4-Pentamethylene-1,3-oxazolidine-5-one-2-thione is to be obtained from 1-amino cyclohexane carboxylic acid and thiophosgene, however, it was not isolated because of its unstability. When it was treated with $C_{6}H_{5}NH_{2},$ N-phenyl-(1-aminocyclohexane) carboxylic acid and N-(1-carboxycyclohexyl), N-phenyl thiourea were obtained. When refluxed in $H_{2}O$ at pH 2, pH 12 and neutral condition, the resulting carboxylic compound, being anticipated by us, was 1-aminocyclohexane carboxylic acid. From the above results, we have got the suggestion f the chemical behavior of 4,4-pentamethylene-1,3-oxazolidine-5-one-2-thione and also some informations of the reaction mechanism between 1-aminocyclohexane carboxylic acid and thiophosgene.

• Bulletin of the Korean Chemical Society
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• 제31권3호
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• pp.553-554
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• 2010

• 대한약학회:학술대회논문집
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• 대한약학회 2000년도 NEW STRATEGY FOR DRUG DEVELOPMENT IN POST-GENOMIC ERA(대한약학회)
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• pp.171.1-171.1
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• 2000

• Archives of Pharmacal Research
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• 제27권5호
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• pp.518-523
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• 2004

An allergic reaction ensues after antigen binds to mast cell or basophil high affinity IgE receptor, Fc$\varepsilon$RI, resulting in degranulation of various inflammatory mediators that produce various allergic symptoms. In this study, i) we isolated the active component for the inhibition of mast cell degranulation from the extract of leaves of Castanea crenata and identified it as quercetin; ii) we established the total synthesis procedure of quercetin; iii) using quercetin as positive control, we excavated some lead compounds that possess inhibitory activities for mast cell degranulation by screening the chemical libraries of 1,3-oxazolidine derivatives prepared by solid phase combinatorial chemistry. Some of 1,3-oxazolidine compounds possessing acetyl and 3',4'-dichlorophenyl group displayed strong inhibitory activities on Fc$\varepsilon$RI-mediated mast cell degranulation, suggesting that they can be used as lead compounds for the development of anti-allergic agents.

• 대한화학회지
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• 제62권5호
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• pp.372-376
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• 2018

A 1D-coordination polymer of $1D-\{Cu({\mu}-picolinato)_2\}$ $\{Hakimi,\;2012\;\sharp73\}_n$ (1), was prepared by the reactions between 2-(2-(pyridin-2-yl)oxazolidin-3-yl)ethanol (AEPC) ligand and $CuCl_2$ or $CuBr_2$. The product was characterized by elemental analysis, UV-Vis, FT-IR spectroscopy and single-crystal X-ray diffraction. The X-ray analysis results revealed that the AEPC ligand, after reactions with the copper(II) chloride or bromide, gives the same product - $1D-\{Cu({\mu}-picolinato)_2\}_n$ (1). The coordination modes for various picolinate-based ligands were extracted from the Cambridge Structural Database (CSD). In the crystal structure of 1, the copper atom has a $CuN_2O_4$ environment and octahedral geometry, which is distorted by elongation of the axial bond lengths due to the Jahn-Teller effect.

• 대한약학회:학술대회논문집
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• 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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• pp.158.1-158.1
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• 2003

We report here the results on N-acetyl-N"-methylamide of oxazolidine (Ac-Oxa-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level of theory with the 6-31 +G(d) basis set. The displacement of the $\gamma$-$CH_2$ group in proline ring by oxygen atom has affected the structure of proline, cis-trans equilibrium, and rotational barrier. The up-puckered structure is found to be prevalent for the trans conformers of the Oxa amide. (omitted)

• 한국생물물리학회:학술대회논문집
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• 한국생물물리학회 2003년도 정기총회 및 학술발표회
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• pp.74-74
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• 2003

We report here the results on N-acetyl-N'-methylamide of oxazolidine (Ac-Oxa-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level of theory with the 6-3l+G(d) basis set. The displacement of the $\square$-CH$_2$ group in proline ring by oxygen atom has affected the structure of proline, cis$\^$∼/ trans equilibrium, and rotational barrier. The up-puckered structure is found to be prevalent for the trans conformers of the Oxa amide. The higher cis populations of the Oxa amide can be interpreted due to the longer distance between the acetyl methyl group and the 5-methylene group of the ring for the trans conformer of the Oxa amide than that of the Pro amide. The changes in charge of the prolyl nitrogen and the decrease in electron overlap of the C$\^$∼/ N bond for TS structures seem to play a role in lowering rotational barriers of the Oxa amide compared to that of the Pro amide. The calculated preferences for cis conformers in the order of Oxa > Pro amides and for trans-to-cis rotational barriers in the order of Pro > Oxa amide in water are consistent with experimental results on Oxa-containing peptides. The pertinent distance between the prolyl nitrogen and the N$\^$∼/ H amide group to form a hydrogen bond might indicate that this intramolecular hydrogen bond could contribute in stabilizing the TS structures of Oxa and Pro amides and play a role in prolyl isomerization.

• 한국식품과학회지
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• 제10권2호
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• pp.162-172
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• 1978

탈지(脫脂) 유채박중(油菜粕中)에는 필수(必須) 아미노산(酸)이 다수함유(多數含有)한 양질(良質)의 단백질(蛋白質)을 함유(含有)하고 있으나 독소(毒素)인 myrosinase이 활성(活性)을 억제(抑制)시키거나 효소(酵素) 가수분해물(加水分解物)인 isothiocyanate 및 oxazoolidinethione을 제거(除去)하여야 한다. 이와 같은 독소(毒素)를 myrosinase 활성(活性)을 감소(減少)시키는 방법(方法)으로 처리하여 전연무독(全然無毒)한 단백질(蛋白質)을 분리(分離)하였다. 즉(卽) pH11.0에서 냉시(冷時)에 추출(抽出)하고 $0^{\circ}C$에서 침전(沈澱)을 분리(分離)하였으며 식품화학적(食品化學的)인 성질(性質) 비교(比較)를 하였다. 유채단백질(油菜蛋白質)은 분자수(分子數)가 많아 침전시(沈澱時)에는 조제(助劑)인 혹(或)은 알긴 산(酸)소 다- 를 이용(利用)하여 좋은 결과(結果)를 얻었다. 또 pH 6.7, 5.6 및 5.0에 따라 색상(色相)을 단리하는 단백질(蛋白質)이 분리(分離)되었고 수세(水洗)와 acetone을 사용(使用)하여 색소(色素)를 제거(除去)시킬 수 있었으며 냉동건조(冷凍乾燥)하여 변색(變色)을 방지(防止)하였다. 역류(逆流) 추출법(抽出法)은 양산(量産)할 수 있는 단백질(蛋白質) 추출(抽出) 방법(方法)이다.

• 한국식품과학회지
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• 제20권2호
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• pp.194-199
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• 1988

유채박의 활용성을 높이기 위하여 발아에 따른 유채중 유해물질로 알려진 glucosinolates함량의 변화와, 유리당 함량의 변화를 측정 한 결과 UV법 과 GLC법으로 측정한 glucosinolates의 함량간에는 큰 차이를 나타내지 않았으며 발아전 시료중의 총 glucosinolates 함량은 13.6mg/g으로 상당히 많은량을 나타내었다. 3-butenyl-isothiocyanate의 함량은 0.6mg/g이었으며, 4-pentenylisothiocyanate 는 0.12mg/g 을 이었고, 5-vinyl-oxazolidine-2-thione은 12.9mg/g을 나타내었다. 발아시간에 따른 함량변화는 72시간까지 함량이 감소하다가 96시간후부터 증가하는 경향을 나타내었다. 유리당 함량은 발아전 fructose, glucose, sucrose가 각각 3.03, 2.97, 5.63mg/g이었으며 발아에 따라 fructose와 glucose는 서서히 감소하였으나 sucrose의 경우에는 초기에 증가 하다가 발아 12시간 이후부터 감소하는 경향을 나타내었다.