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3,4,5-trimethyl-phthalic acid | 921759-10-6

中文名称
——
中文别名
——
英文名称
3,4,5-trimethyl-phthalic acid
英文别名
3,4,5-Trimethyl-phthalsaeure;3,4,5-Trimethylbenzene-1,2-dicarboxylic acid;3,4,5-trimethylphthalic acid
3,4,5-trimethyl-phthalic acid化学式
CAS
921759-10-6
化学式
C11H12O4
mdl
——
分子量
208.214
InChiKey
DBYHSUUFLBBZED-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):
    2.1
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.27
  • 拓扑面积:
    74.6
  • 氢给体数:
    2
  • 氢受体数:
    4

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • Secondary amines, their preparation, pharmaceutical compositions containing them and their use
    申请人:BEECHAM GROUP PLC
    公开号:EP0006735A1
    公开(公告)日:1980-01-09
    The compounds of the formula (II): and their pharmaceutically acceptable salts wherein R, is a hydrogen, fluorine or chlorine atom or a hydroxyl, hydroxymethyl. methyl, methoxy, amino. formamido. acetamido. methylsulphonylamido, nitro, benzyloxy, methyisuiphonylmethyl. ureido, trifluoromethyl or p-methoxybenrylamino group; R2 is a hydrogen, fluorine or chlorine atom or a hydroxyi group; R3 is a hydrogen or chlorine atom or a hydroxyl group; R4 is a carboxylic acid group or a salt, ester or amide thereof; R5 is a hydrogen. chlaine or fluorine atom or a methyl, methoxyl or hydroxyl group or a carboxylic acid group or a salt, ester or amide thereof: R5 is a hydrogen atom or a methyl, or propyl group; X is an oxygen atom or a bond: and Y is an alkylene group of up to 6 carbon atoms or a bond have been found to possess anti-obesity and/ or antihypergtycaemic activity.
    分子式为(II)的化合物及其药用盐,其中R为氢、氟或氯原子,或羟基、羟甲基、甲基、甲氧基、氨基、甲酰胺基、乙酰胺基、甲磺酰胺基、硝基、苄氧基、甲基磺酰甲基、脲基、三氟甲基或对甲氧基苯基氨基基团;R2为氢、氟或氯原子,或羟基基团;R3为氢或氯原子,或羟基基团;R4为羧酸基团或其盐、酯或酰胺;R5为氢、氯或氟原子,或甲基、甲氧基或羟基基团,或羧酸基团或其盐、酯或酰胺;R6为氢原子或甲基、丙基基团;X为氧原子或键;Y为长度不超过6个碳原子的烷基团或键,已被发现具有抗肥胖和/或抗高血糖活性。
  • Bax protein expression in DCIS of the breast in relation to invasive ductal carcinoma and other molecular markers
    作者:Shazza Rehman、Julie Crow、Peter A. Revell
    DOI:10.1007/bf03187328
    日期:2000.12
    This study describes the incidence of Bax protein expression in a series of 106 cases of breast cancer including 56 cases of ductal carcinoma in situ (DCIS) and 50 cases of invasive ductal carcinoma (IDC). Relationships of Bax expression to the histological grades of DCIS & IDC, and to the expression of Ki67, ER, p53, cerbB2 & Bcl2 are described. The expression of Bax, Ki67, ER, p53, cerbB2 and Bcl2 proteins is determined immunohistochemically. Cases were regarded positive for Bax, Bcl2 and cerbB2 when they showed either moderate or strong staining for these markers. The nuclear stains (Ki67, ER, and p53) were quantified in terms of percentage positive cells and cases for ER and p53 were considered positive when more than 10% cells were labelled. DCIS were graded histologically as well (n=18), intermediately (n=18), and poorly differentiated (n=20) Invasive ductal carcinoma was graded as grade I (well-differentiated) n=7, grade II (intermediate) n=24 and grade III (poorly differentiated) n=19. 65/106 cases (61%) were Bax positive including 37/56 (66%) of DCIS and 28/50 (56%) of IDC. Bax expression did not correlate to increasing histological grades of either DCIS or IDC. It did not correlate to Ki67, ER, p53 or cerbB2 but positive correlation was seen with Bcl2 (p=0.003). Bcl2 immunostaining displayed a negative correlation with increasing histological grades both of DCIS and IDC (p=0.026), (p=0.041) respectively. There was a trend of negative correlation of Bcl2 with Ki67 (p=0.062). It correlated positively with Bax (p=0.003) and ER (p<0.0001). Results suggest that the regulation of apoptosis is important in ductal carcinoma in situ of the breast as well as invasive ductal carcinomas. Bcl2 is associated with good prognostic markers in both DCIS and IDC, whereas the regulation of Bax is complex and does not necessarily correlate with mutant p53.
  • Meyer,F.; Ador, Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1879, p. 562
    作者:Meyer,F.、Ador
    DOI:——
    日期:——
  • JPS585379A
    申请人:——
    公开号:JPS585379A
    公开(公告)日:1983-01-12
  • US4478849A
    申请人:——
    公开号:US4478849A
    公开(公告)日:1984-10-23
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