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1,5-bis<<2-(diethylamino)ethyl>amino>anthracene-9,10-dione | 1614-59-1

中文名称
——
中文别名
——
英文名称
1,5-bis<<2-(diethylamino)ethyl>amino>anthracene-9,10-dione
英文别名
1.5-Bis-(N-diethylamino-ethylamino)-anthrachinon;1,5-bis-{[2-(diethylamino)ethyl]amino}anthracene-9,10-dione;1,5-bis[[2-(diethylamino)ethyl]amino]anthraquinone;1,5-Bis((2-(diethylamino)ethyl)amino)-9,10-anthracenedione;1,5-bis[2-(diethylamino)ethylamino]anthracene-9,10-dione
1,5-bis<<2-(diethylamino)ethyl>amino>anthracene-9,10-dione化学式
CAS
1614-59-1
化学式
C26H36N4O2
mdl
——
分子量
436.597
InChiKey
IKPZNOSJYRZOCZ-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

  • 熔点:
    163-165 °C
  • 沸点:
    618.2±55.0 °C(Predicted)
  • 密度:
    1.156±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    5.5
  • 重原子数:
    32
  • 可旋转键数:
    12
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.46
  • 拓扑面积:
    64.7
  • 氢给体数:
    2
  • 氢受体数:
    6

安全信息

  • 海关编码:
    2922399090

SDS

SDS:c4af1ecc167d155d41e5d75760ed65e2
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反应信息

  • 作为产物:
    参考文献:
    名称:
    Anti-cancer compounds
    摘要:
    式(I)的化合物##STR1##中,其中R.sub.1、R.sub.2、R.sub.3和R.sub.4分别从氢、X、NH--A--NHR和NH--A--N(O)R'R"中选择,其中X是羟基、卤素、氨基、C.sub.1-4烷氧基或C.sub.2-8烷酰氧基,A是一个C.sub.2-4烷基链,其链长在NH和NHR或N(O)R'R"之间至少为2个碳原子,R、R'和R"分别从C.sub.1-4烷基和C.sub.2-4羟基烷基和C.sub.2-4二羟基烷基中选择,其中连接到氮原子的碳原子不带有羟基,也没有碳原子被两个羟基取代,或者R'和R"一起是一个C.sub.2-6烷基链,与R"和R"连接的氮原子形成一个含有3至7个原子的环的杂环基团,但至少R.sub.1到R.sub.4中的一个是NH--A--N(O)R'R"基团,其生理上可接受的盐在癌症治疗中具有价值。
    公开号:
    US05132327A1
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文献信息

  • [EN] ANTI-CANCER COMPOUNDS
    申请人:NATIONAL RESEARCH DEVELOPMENT CORPORATION
    公开号:WO1991005824A1
    公开(公告)日:1991-05-02
    (EN) Compounds of formula (I) in which R1, R2, R3 and R4 are each separately selected from hydrogen, X, NH-A-NHR and NH-A-N(O)R'R'' wherein X is hydroxy, halogeno, amino, C1-4 alkoxy or C2-8 alkanoyloxy, A is a C2-4 alkylene group with a chain length between NH and NHR or N(O)R'R'' of a least 2 carbon atoms and R, R' and R'' are each separately selected from C1-4 alkyl groups and C2-4 hydroxyalkyl and C2-4 dihydroxyalkyl groups in which the carbom atom attached to the nitrogen atom does not carry a hydroxy group and no carbon atom is substituted by two hydroxy groups, or R' and R'' together are a C2-6 alkylene group which with the nitrogen atom to which R' and R'' are attached forms a heterocyclic group having 3 to 7 atoms in the ring, but with the proviso that at least one of R1 to R4 is a group NH-A-N(O)R'R'', and physiologically acceptable salts thereof are of value in the treatment of cancer.(FR) Composés de formule (I) où R1, R2, R3 et R4 sont chacun sélectionnés séparément à partir de l'hydrogène, X, NH-A-NHR et NH-A-A(O)R'R'' où X est hydroxy, halogéno, amino, C1-4 alkoxy ou C2-8 alkanoyloxy, A est un groupe alkylène C2-4 à longueur de chaîne entre NH et NHR ou N(O)R'R'' d'au moins deux atomes de carbone et R, R' et R'' sont chacun sélectionnés séparément à partir de groupes alkyle C1-4 et de groupes hydroxyalkyle C2-4 et dihydroxyalkyle C2-4 où l'atome de carbone attaché à l'atome d'azote ne porte pas de groupe hydroxy et aucun atome de carbone n'est substitué par deux groupes hydroxy, ou R' et R'' ensemble sont un groupe alkylène C2-6 qui, avec l'atome d'azote auquel R' et R'' sont attachés, forme un groupe hétérocyclique ayant de 3 à 7 atomes dans l'anneau mais sous condition qu'au moins l'un de R1 à R4 soit un groupe NH-A-N(O)R'R'' et que ses sels physiologiquement acceptables soient valables dans le traitement du cancer.
    化合物的化学式为(I),其中R1、R2、R3和R4分别独立地选择自氢、X、NH-A-NHR和NH-A-N(O)R'R'',其中X是羟基、卤素、氨基、C1-4烷氧基或C2-8烷酰氧基,A是C2-4烷基链,在NH和NHR或N(O)R'R''之间具有至少2个碳原子,R、R'和R''分别独立地选择自C1-4烷基和C2-4羟基烷基和C2-4二羟基烷基,其中连接氮原子的碳原子不带有羟基,且没有碳原子被两个羟基取代,或者R'和R''在一起是C2-6烷基链,与R'和R''附着的氮原子一起形成一个具有3到7个原子的杂环基团,但至少R1到R4中的一个是NH-A-N(O)R'R''的群,其生理上可接受的盐对于癌症的治疗具有价值。
  • Limited play optical storage medium, method for making the same
    申请人:Sivakumar Krishnamoorthy
    公开号:US20050013232A1
    公开(公告)日:2005-01-20
    In one embodiment, a limited play optical storage medium for data comprises: a reflective layer, a control portion comprising an optically transparent polymeric resin and a light absorbing material, wherein the control portion has a light transmission of greater than or equal to about 70% at 650 nm, a curing index of greater than or equal to about 0.1 and a filtration index of greater than or equal to about 2.5, and wherein the light absorbing material has a minimum extinction coefficient (measured in CH 2 Cl 2 solution) at 600 nm of greater than or equal to 1,500 mol −1 ·cm −1 ·L, a maximum extinction coefficient (measured in CH 2 Cl 2 solution) at 650 nm of less than about 1,000 mol 1 ·cm −1 ·L, a ratio of extinction coefficient at 650 nm to 600 nm less than about 0.1, and a reactive layer disposed between the reflective layer and the control portion, wherein the reactive layer is designed to limit the time during which data on the medium (disposed on a side of the reactive layer opposite the control portion), can be accessed after exposure to oxygen.
    在一个实施方案中,一种有限播放数据的光学存储介质包括:反射层、由光学透明聚合树脂和光吸收材料组成的控制部分,其中控制部分在 650 纳米波长下的透光率大于或等于约 70%,固化指数大于或等于约 0.1,过滤指数大于或等于约 2.5,光吸收材料的最小消光系数(以 CH 2 Cl 2 溶液中测量)在 600 纳米波长处的最小消光系数大于或等于 1,500 mol -1 -厘米 -1 -L,最大消光系数(在 CH 2 Cl 2 溶液中)在 650 纳米波长处的最大消光系数小于约 1,000 mol 1 -厘米 -1 -在 650 纳米波长处的消光系数与 600 纳米波长处的消光系数之比小于约 0.1,以及设置在反射层和控制部分之间的反应层,其中反应层用于限制介质(设置在反应层与控制部分相对的一侧)上的数据在暴露于氧气后可被访问的时间。
  • Comparative computer graphics and solution studies of the DNA interaction of substituted anthraquinones based on doxorubicin and mitoxantrone
    作者:Suhail A. Islam、Stephen Neidle、Bijukumar M. Gandecha、Malcolm Partridge、Laurence H. Patterson、Jeffrey R. Brown
    DOI:10.1021/jm00145a003
    日期:1985.7
    1-[[(Diethylamino)ethyl]amino]- and 1,4-, 1,5-, and 1,8-bis[[(diethylamino)ethyl]amino]anthraquinones are shown to intercalate into DNA. Computer graphics modelling of their intercalation into the self-complementary deoxydinucleoside d(CpG) showed differences in binding properties. While the 1-substituted compound can bind from either groove, the 1,8-disubstituted compound binds with both substituents in the major groove. In the low-energy state of the complex with the 1,5-disubstituted compound, this ligand "straddles" the site with a substituent in each groove--to do this, the compound must bind to a non-base-paired region, so inducing base pairing. The 1,4-compound binds from the major groove; "straddling" is also possible if full minimization of deoxydinucleoside geometry is performed. The differences in binding mode and interaction energies are reflected in the affinities of interaction (1,5- greater than 1,4- much greater than 1,8- greater than 1-); also the antiproliferative effects in vitro are in general agreement with this ranking.
  • Synthesis of aminoanthraquinone derivatives and their in vitro evaluation as potential anti-cancer drugs
    作者:J KATZHENDLER、K GEAN、G BARAD、Z TASHMA、R BENSHOSHAN、I RINGEL、U BACHRACH、A RAMU
    DOI:10.1016/0223-5234(89)90159-1
    日期:1989.1
  • KATZHENDLER, JEHOSHUA;GEAN, KERIA-FIORELLA;BAR-AD, GIDON;TASHMA, ZEEV;BEN+, EUR. J. MED. CHEM., 24,(1989) N, C. 23-30
    作者:KATZHENDLER, JEHOSHUA、GEAN, KERIA-FIORELLA、BAR-AD, GIDON、TASHMA, ZEEV、BEN+
    DOI:——
    日期:——
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同类化合物

齐斯托醌 黄决明素 马普替林杂质E(N-甲基马普替林) 马普替林杂质D 马普替林 颜料黄199 颜料黄147 颜料黄123 颜料黄108 颜料红89 颜料红85 颜料红251 颜料红177 颜料紫27 顺式-1-(9-蒽基)-2-硝基乙烯 阿美蒽醌 阳离子蓝3RL 长蠕孢素 镁蒽四氢呋喃络合物 镁蒽 锈色洋地黄醌醇 锂钠2-[[4-[[3-[(4-氨基-9,10-二氧代-3-磺基-1-蒽基)氨基]-2,2-二甲基-丙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]苯-1,4-二磺酸酯 锂胭脂红 链蠕孢素 铷离子载体I 铝洋红 铂(2+)二氯化1-({2-[(2-氨基乙基)氨基]乙基}氨基)蒽-9,10-二酮(1:1) 钾6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯 钠6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯 钠4-({4-[乙酰基(乙基)氨基]苯基}氨基)-1-氨基-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠2-[(4-氨基-9,10-二氧代-3-磺基-9,10-二氢-1-蒽基)氨基]-4-{[2-(磺基氧基)乙基]磺酰基}苯甲酸酯 钠1-氨基-9,10-二氢-4-[[4-(1,1-二甲基乙基)-2-甲基苯基]氨基]-9,10-二氧代蒽-2-磺酸盐 钠1-氨基-4-[(3-{[(4-甲基苯基)磺酰基]氨基}苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠1-氨基-4-[(3,4-二甲基苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯 钠1-氨基-4-(1,3-苯并噻唑-2-基硫基)-9,10-二氧代蒽-2-磺酸盐 醌茜隐色体 醌茜素 酸性蓝127:1 酸性紫48 酸性紫43 酸性兰62 酸性兰25 酸性兰182 酸性兰140 酸性兰138 酸性兰 129 透明蓝R 透明蓝AP 透明红FBL 透明紫BS