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14-甲基十五烷酸甲酯 | 5129-60-2

中文名称
14-甲基十五烷酸甲酯
中文别名
——
英文名称
methyl 14-methylpentadecanoate
英文别名
pentadecanoic acid, 14-methyl-, methyl ester;Pentadecanoic acid, 14-methyl, methyl ester;pentadecanoic acid, 14-methyl,methyl ester;14-methyl-pentadecanoic acid methyl ester;pentadecanoic acid 14-methyl methyl ester;14-methylpentadecanoic acid methyl ester
14-甲基十五烷酸甲酯化学式
CAS
5129-60-2
化学式
C17H34O2
mdl
MFCD00083430
分子量
270.456
InChiKey
WAKCWJNDXBPEBP-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

物化性质

  • 沸点:
    149-150 °C(Press: 2 Torr)
  • 密度:
    0.864±0.06 g/cm3(Predicted)
  • 溶解度:
    氯仿:可溶;乙醇:可溶
  • LogP:
    7.253 (est)
  • 保留指数:
    1877;1877;1877.3;1874.9;1870.4

计算性质

  • 辛醇/水分配系数(LogP):
    7.6
  • 重原子数:
    19
  • 可旋转键数:
    14
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.941
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • WGK Germany:
    3
  • 海关编码:
    2915900090

SDS

SDS:38324f9784fdb3290f65e48790f24281
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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

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文献信息

  • Psammaplysin Derivatives from the Balinese Marine Sponge<i>Aplysinella strongylata</i>
    作者:I Wayan Mudianta、Tina Skinner-Adams、Katherine T. Andrews、Rohan A. Davis、Tri A. Hadi、Patricia Y. Hayes、Mary J. Garson
    DOI:10.1021/np300560b
    日期:2012.12.28
    Twenty-one new psammaplysin derivatives (4–24) exhibiting a variety of side chains, as well as six previously known psammaplysins, were identified from the Indonesian marine sponge Aplysinella strongylata. The double bond on the side chain of the fatty acid-containing psammaplysins was located by GC-MS analysis of the fatty acid methyl esters and their pyrrolidide derivatives. HPLC and Mosher ester
    二十一新psammaplysin衍生物(4 - 24)表现出多种侧链,以及6个先前已知的psammaplysins,从印度尼西亚海绵识别Aplysinella strongylata。通过GC-MS分析脂肪酸甲酯和它们的吡咯化物衍生物,定位了含脂肪酸的角蛋白水解酶的侧链上的双键。HPLC和Mosher酯研究证实,具有19-OH取代基的分离代谢物是非对映异构体的混合物。选择的化合物(4,5,7,8,12,18,和22筛选了针对氯喹敏感(3D7)恶性疟原虫疟原虫的体外活性。在新的psammaplysins中,19-hydroxypsammaplysin E(4)显示出最佳的抗疟活性,IC 50值为6.4μM。
  • 2' ,5' -Oligoadenylate analogs
    申请人:Koizumi Makoto
    公开号:US20050261235A1
    公开(公告)日:2005-11-24
    A 2-5A analog represented by the formula (1): wherein m is 0 or 1; n is 0 to 2; R 1 represents an alkoxy group having from 1 to 6 carbon atoms which may be substituted, an unprotected mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may be substituted; R 2 , R 3 , R 4 , R 5 and R 6 represent an unprotected hydroxyl group, a hydroxyl group protected by a nucleic acid synthesis protecting group, an alkoxy group having from 1 to 6 carbon atoms which may be substituted, an unprotected mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may be substituted; R 7 represents an oxygen atom, or a —O(CH 2 CH 2 O)q-group, wherein q is 2 to 6; R 8 represents a hydrogen atom, an alkyl group having from 1 to 6 carbon atoms which may be substituted, or a 5′-phosphorylated oligonucleotide analog which has one hydroxyl group removed from the 5′-phosphoric acid group; E 1 , E 2 , E 3 and E 4 represent a naturally occurring or modified nucleic acid unit, or a pharmacologically acceptable salt thereof.
    一种由公式(1)表示的2-5A模拟物,其中m为0或1;n为0至2;R1表示具有1至6个碳原子的烷氧基,可以被取代,未保护的巯基,通过核酸合成保护基保护的巯基,或者具有1至4个碳原子的烷硫基,可以被取代;R2、R3、R4、R5和R6表示未保护的羟基,通过核酸合成保护基保护的羟基,具有1至6个碳原子的烷氧基,可以被取代,未保护的巯基,通过核酸合成保护基保护的巯基,或者具有1至4个碳原子的烷硫基,可以被取代;R7表示氧原子,或者-O(CH2CH2O)q-基团,其中q为2至6;R8表示氢原子,具有1至6个碳原子的烷基,可以被取代,或者从5'-磷酸基团中去除一个羟基的5'-磷酸寡核苷酸类似物;E1、E2、E3和E4表示天然或修饰的核酸单元,或其药理学上可接受的盐。
  • Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog
    申请人:Koizumi Makoto
    公开号:US20100035976A1
    公开(公告)日:2010-02-11
    A method of treating a tumor or a viral disease by administering to a human the following 2′,5′-oligoadenylate analog: Wherein m is 0; n is 0 or 1; R 1 is alkoxy substituted by hydroxyl, mercapto, alkylthio substituted by hydroxyl or X 1 —X 2 —X 3 —S—; R 2 , R 3 , R 4 , R 5 and R 6 are hydroxyl, mercapto, alkylthio substituted by hydroxyl or X 1 —X 2 —X 3 —S—; R 7 is oxygen, sulfur, —NH—, or —O(CH 2 CH 2 O)q-, wherein q is 2 to 6, or oxyalkyleneoxy; R 8 is hydrogen or a 5′-phosphorylated oligonucleotide which has one hydroxyl removed from the 5′-phosphoric acid; E 1 is K 2 ; E 2 is K 1 ; E 3 is K 2 or K 3 and E 4 is K 1 , K 2 or K 3 ; K 1 is K 2 is K 3 is B is adeninyl; A is alkylene; D is alkyl or alkenyl; X 1 is alkyl or phenyl; X 2 is —C(═O)O—, —OC(═O)— or —C(═O)S—; and X 3 is alkylene.
    一种通过向人体内注射以下2′,5′-寡腺苷酸类似物来治疗肿瘤或病毒性疾病的方法:其中m为0;n为0或1;R1为烷氧基,被羟基,巯基,被羟基的烷基硫代基或X1—X2—X3—S—取代的烷氧基;R2,R3,R4,R5和R6为羟基,巯基,被羟基的烷基硫代基或X1—X2—X3—S—;R7为氧,硫,—NH—,或—O(CH2CH2O)q-,其中q为2至6,或氧烷氧基;R8为氢或一个5′-磷酸寡核苷酸,其5′-磷酸上有一个羟基被去除;E1为K2;E2为K1;E3为K2或K3,E4为K1,K2或K3;K1,K2和K3为B为腺苷基;A为烷基;D为烷基或烯基;X1为烷基或苯基;X2为—C(═O)O—,—OC(═O)—或—C(═O)S—;X3为烷基。
  • NOVEL 2' ,5' -OLIGOADENYLIC ACID ANALOGUES
    申请人:Sankyo Company, Limited
    公开号:EP1568704A1
    公开(公告)日:2005-08-31
    A 2-5A analog represented by the formula (1): [wherein m is 0 or 1; n is 0 to 2; R1 represents an alkoxy group having from 1 to 6 carbon atoms which may have a substituent, a mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may have a substituent; R2, R3, R4, R5 and R6 represent a hydroxyl group, a hydroxyl group protected by a nucleic acid synthesis protecting group, an alkoxy group having from 1 to 6 carbon atoms which may have a substituent, a mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may have a substituent; R7 represents an oxygen atom, or a -O(CH2CH2O)q- group (q is 2 to 6); R8 represents a hydrogen atom, an alkyl group having from 1 to 6 carbon atoms which may have a substituent, or 5'-phosphorylated oligonucleotide analogs which do not have one hydroxyl group on a 5'-phosphoric acid group; E1, E2, E3 and E4 represent a naturally occurring or modified nucleic acid unit], and a pharmacologically acceptable salt thereof.
    由式(1)表示的 2-5A 类似物: [其中 m 为 0 或 1;n 为 0 至 2;R1 代表具有 1 至 6 个碳原子且可能具有取代基的烷氧基、巯基、受核酸合成保护基保护的巯基或具有 1 至 4 个碳原子且可能具有取代基的烷硫基;R2、R3、R4、R5 和 R6 代表羟基、受核酸合成保护基团保护的羟基、具有 1 至 6 个碳原子且可能具有取代基的烷氧基、巯基、受核酸合成保护基团保护的巯基或具有 1 至 4 个碳原子且可能具有取代基的烷硫基;R7代表氧原子,或-O(CH2CH2O)q-基团(q为2至6);R8代表氢原子、具有1至6个碳原子且可具有取代基的烷基,或在5'-磷酸基上不具有一个羟基的5'-磷酸化寡核苷酸类似物;E1、E2、E3和E4代表天然存在的或修饰的核酸单元],及其药理学上可接受的盐。
  • REZANKA, TOMAS;PODOJIL, MILOSLAV, J. CHROMATOGR., 463,(1989) N, C. 397-408
    作者:REZANKA, TOMAS、PODOJIL, MILOSLAV
    DOI:——
    日期:——
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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