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<2-Hydroxy-cyclopentyl>-essigsaeure | 102539-91-3

中文名称
——
中文别名
——
英文名称
<2-Hydroxy-cyclopentyl>-essigsaeure
英文别名
2-hydroxycyclopentylacetic acid;2-(2-Hydroxycyclopentyl)acetic acid
<2-Hydroxy-cyclopentyl>-essigsaeure化学式
CAS
102539-91-3
化学式
C7H12O3
mdl
——
分子量
144.17
InChiKey
WWGSGBFRODAXAP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.2
  • 重原子数:
    10
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.86
  • 拓扑面积:
    57.5
  • 氢给体数:
    2
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    2-exo-aminonorbornan-3-one hydrochloride 在 硫酸 、 sodium nitrite 作用下, 以 为溶剂, 反应 0.67h, 以3.1%的产率得到tricyclo<2.2.1.02.6>heptanone
    参考文献:
    名称:
    Edwards, Oliver E.; Dixon, John; Elder, John W., Canadian Journal of Chemistry, 1981, vol. 59, p. 2096 - 2115
    摘要:
    DOI:
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文献信息

  • [EN] PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS DE PYRROLIDINE DE L'ACTIVITE DU RECEPTEUR DES CHIMIOKINES
    申请人:MERCK & CO INC
    公开号:WO2000059503A1
    公开(公告)日:2000-10-12
    The present invention is directed to pyrrolidine compounds of formula (I) (wherein R?1, R2, R3, R4, R5, R6¿ and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3.
    本发明涉及式(I)的吡咯烷化合物(其中R1,R2,R3,R4,R5,R6和n的定义如下),它们可用作趋化因子受体活性调节剂。特别地,这些化合物可用作趋化因子受体CCR-5和/或CCR-3的调节剂。
  • 13-aza-14-oxo-TXA.sub.2 analogues
    申请人:Ono Pharmaceutical Co., Ltd.
    公开号:US04792550A1
    公开(公告)日:1988-12-20
    A novel 13-aza-14-oxo-TXA.sub.2 analogue of general formula: ##STR1## wherein symbol A represents --CH.sub.2 CH.sub.2 --(CH.sub.2).sub.m --, cis--CH.dbd.CH--(CH.sub.2).sub.m --, --CH.sub.2 O--(CH.sub.2).sub.m --, --S--(CH.sub.2).sub.m -- ##STR2## R.sup.2 represents a bond or a straight or branched alkylene or alkenylene group of from 1 to 10 carbon atom(s) unsubstituted or substituted; R.sup.3 represents (i) a phenyl, phenoxy or phenylthio group unsubstituted or substituted, (ii) a straight or branched alkyl, alkenyl or alkynyl group of from 1 to 6 carbon atom(s) unsubstituted or substituted, (iii) a cycloalkyl, cycloalkyloxy or cycloalkylthio group of from 4 to 7 carbon atoms unsubstituted or substituted, (iv) a naphthyl, indolyl or indanyl group, or (v) an amino group unsubstituted or substituted R.sup.4 represents a hydrogen atom or a methyl group.
    一种新型的13-aza-14-oxo-TXA.sub.2类似物,其一般式为:##STR1## 其中符号A代表--CH.sub.2 CH.sub.2 --(CH.sub.2).sub.m --,顺式--CH.dbd.CH--(CH.sub.2).sub.m --,--CH.sub.2 O--(CH.sub.2).sub.m --,--S--(CH.sub.2).sub.m -- ##STR2## R.sup.2代表1至10个碳原子的直链或支链烷基或烯基基团,未取代或取代;R.sup.3代表(i)未取代或取代的苯基,苯氧基或苯基硫基团,(ii)1至6个碳原子的直链或支链烷基,烯基或炔基基团,未取代或取代,(iii)4至7个碳原子的环烷基,环烷氧基或环烷基硫基团,未取代或取代,(iv)萘基,吲哚基或吲哚基基团,或(v)未取代或取代的氨基团;R.sup.4代表氢原子或甲基基团。
  • CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS
    申请人:Wu Jing
    公开号:US20050215541A1
    公开(公告)日:2005-09-29
    Disclosed are compounds which inhibit β-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits β-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.
    本发明涉及一种抑制β-淀粉样肽释放和/或其合成的化合物,因此在治疗阿尔茨海默病方面具有用途。本发明还涉及包括抑制β-淀粉样肽释放和/或其合成的化合物的制药组合物,以及使用这种制药组合物预防和治疗阿尔茨海默病的方法。
  • Benzisoxazole Compound
    申请人:Sasaki Atsushi
    公开号:US20090318690A1
    公开(公告)日:2009-12-24
    Disclosed is a compound represented by the general formula (I) or a salt thereof: wherein any one of R1, R2 and R3 represents a group represented by the formula: —(CH 2 )m-NR11R12 (wherein m is 1 or 2; and R11 and R12 independently represent a hydrogen atom or a C1-6 alkyl group or may, together with a nitrogen atom to which R11 and R12 are bound, form a 4- or 5-membered cyclic group); the remaining two or R1, R2 and R3 independently represent a group represented by the formula: —(O)n-R21 (wherein n is 0 or 1; and R21 represents a hydrogen atom, a C1-6 alkyl group, a C2-6 alkenyl group, a C2-6 alkynyl group, or the like); and R4 represents a C1-6 alkyl group which may have a substituent or the like.
    本发明涉及一种由通式(I)表示的化合物或其盐:其中R1、R2和R3中的任意一个表示公式表示的基团:—(CH2)m-NR11R12(其中m为1或2;R11和R12独立地表示氢原子或C1-6烷基或可能与R11和R12结合的氮原子一起形成4-或5-成员环状基团);剩余的两个或R1、R2和R3独立地表示公式表示的基团:—(O)n-R21(其中n为0或1;R21表示氢原子、C1-6烷基、C2-6烯基、C2-6炔基等);R4表示可能具有取代基的C1-6烷基。
  • 13-Aza-14-oxo-txa2 analogues
    申请人:ONO PHARMACEUTICAL CO., LTD.
    公开号:EP0171146A1
    公开(公告)日:1986-02-12
    A novel 13-aza-14-oxo-TXA2 analogue of general formula: [wherein symbol A represents (i) a group of general formula: -CH2CH2-(CH2)m-, (ii)) a group of general formula: cis-CH=CH-(CH2)17, (iii) a group of general formula: -CH2O-(CH2)m-, (iv) a group of general formula: -S-(CH2)m-(wherein m represents an integer of from 1 to 6) or (v) a group of general formula: - R1 represents a hydrogen atom or a straight or branched alkyl group of from 1 to 12 carbon atom(s); R2 represents a bond or a straight or branched alkylene or alkylene group of from 1 to 10 carbon atom(s) unsubstituted or substituted by at least one of hydroxy group, amino group, halogen atom or phenylthio group; R3 represents (i) a phenyl, phenoxy or phenylthio group unsubstituted or substituted by at least one of straight or branched alkyl or alkoxy group of from 1 to 6 carbon atom(s), halogen atom or hydroxy group, (ii) a straight or branched alkyl, alkenyl or alkynyl group of from 1 to 6 carbon atom(s) unsubstituted or substituted by at least one of halogen atom or hydroxy group, (iii) a cycloalkyl, cycloalkyloxy or cycloalkylthio group of from 4 to 7 carbon atoms unsubstituted or substituted by at least one of straight or branched alkyl group of from 1 to 6 carbon atom(s), halogen atom or hydroxy group, (iv) a naphthyl, indolyl or indanyl group, or (v) an amino group unsubstituted or substituted by at least one of straight or branched alkyl group of from 1 to 6 carbon atom(s); and R4 represents a hydrogen atom or a methyl group. With proviso that, the carbon atom neighbored with R3 in R2 should have no substituents, when R3 represents a phenyloxy, phenylthio, cycloalkyloxy or cycloalkylthio group unsubstituted or substituted.] and cyclodextrin clathrates thereof and non-toxic salts thereof wherein R' represents a hydrogen atom possess an antagonistic activity on TXA2, in particular, inhibit blood platelet aggregation and contraction of artery, and are, therefore, useful for prevention and/or treatment of inflammation, hypertension, thrombus, cerebral apoplexy, asthma, cardiac infarction, angina pectoris, cerebral infarction and death by acute cardiac diseases in mammals, in particular in humans, which are induced by thromboxane A2.
    一种通式为 13-aza-14-oxo-TXA2 的新型类似物: [其中符号 A 代表 (i) 通式中的基团-CH2CH2-(CH2)m-、 (ii) 通式为:顺式-CH=CH-(CH2)17 的基团、 (iii) 通式为-CH2O-(CH2)m-、 (iv) 通式为-S-(CH2)m-(其中 m 代表 1 至 6 的整数)或 (v) 通式为- R1 代表氢原子或 1 至 12 个碳原子的直链或支链烷基; R2 代表未取代的或被羟基、氨基、卤素原子或苯硫基中的至少一个取代的键或 1 至 10 个碳原子的直链或支链亚烷基或亚烷基; R3 代表 (i) 未被 1 至 6 个碳原子的直链或支链烷基或烷氧基、卤素原子或羟基中的 至少一个取代的苯基、苯氧基或苯硫基、 (ii) 1 至 6 个碳原子的直链或支链烷基、烯基或炔基,未被卤素原子或羟基中的 至少一个取代或被取代、 (iii) 4 至 7 个碳原子的环烷基、环烷氧基或环烷基硫代基团,未被 1 至 6 个碳原子的直链或支链烷基、卤素原子或羟基中的至少一个取代或被其取代、 (iv) 萘基、吲哚基或茚基,或 (v) 未被取代或被至少一个 1 至 6 个碳原子的直链或支链烷基取代的氨基; 以及 R4 代表氢原子或甲基。 但 R3 代表未取代或取代的苯氧基、苯硫基、环烷氧基或环烷基硫基时,R2 中与 R3 相邻的碳原子应无取代基。] 及其环糊精包合物和无毒盐,其中 R' 代表氢原子,具有拮抗 TXA2 的活性,特别是抑制血小板聚集和动脉收缩,因此、可用于预防和/或治疗由血栓素 A2 引起的哺乳动物,特别是人类的炎症、高血压、血栓、脑中风、哮喘、心肌梗塞、心绞痛、脑梗塞和急性心脏病引起的死亡。
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