119673-08-4 (贝卡特卡林,Becatecarin)

CAS号:
119673-08-4
中文名称:
贝卡特卡林
英文名称:
Becatecarin
分子式:
C33H34Cl2N4O7
分子量:
669.551666736603
简介:
Becatcarin是一种rebeccamycin类似物,具有抗肿瘤作用。Becatecarin插入DNA并抑制拓扑异构酶I/II的催化活性。

贝卡特卡林(119673-08-4)名称与标识符

名称

英文别名:
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,1,11-dichloro-6-[2-(diethylamino)ethyl]-12,13-dihydro-12-(4-O-methyl-b-D-glucopyranosyl)-;5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,1,11-dichloro-6-[2-(diethylamino)ethyl]-...;5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,1,11-dichloro-6-[2-(diethylamino)ethyl]-12,13-dihydro-12-(4-O-methyl-b-;BECATECARIN;1,11-dichloro-6-(2-(diethylamino)ethyl)-12-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione;BMS 181176;BMY 27557;NSC 655649;XL 119;Bacatecarin;JSKFWUPVIZYJMR-UDOAKELVSA-N;5H-Indolo[2,3-A]pyrrolo[3,4-C]carbazole-5,7(6H)-dione, 1,11-.beta.-D-glucopyranosyl)-;AKOS040755287;XL119;6-(2-(DIETHYLAMINO)ETHYL)-REBECCAMYCIN;A60X6MBU6G;119673-08-4;D03220;1,11-DICHLORO-6-(2-(DIETHYLAMINO)ETHYL)-12,13-DIHYDRO-12-(4-O-METHYL-.BETA.-D-GLUCOPYRANOSYL)-5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE;DTXSID60869635;Becatecarin (USAN/INN);Becatecarin [USAN];BECATECARIN [INN];6-N-[2-(Diethylamino)ethyl]rebeccamycin;NS00069649;NSC 655649; XL 119;BMS 181176; BMY 27557;BMY-27557;Bms-181176;BECATECARIN [WHO-DD];5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 1,11-dichloro-6-(2-(diethylamino)ethyl)-12,13-dihydro-12-(4-O-methyl-beta-D-glucopyranosyl)-;DEAE-Rebeccamycin;1,11-Dichloro-6-(2-(diethylamino)ethyl)-12-(4-O-methyl-beta-D-glucopyranosyl)-12,13-dihydro-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione;5H-INDOLO(2,3-A)PYRROLO(3,4-C)CARBAZOLE-5,7(6H)-DIONE, 1,11-DICHLORO-6-(2-(DIETHYLAMINO)ETHYL)-12,13-DIHYDRO-12-(4-O-METHYL-.BETA.-D-GLUCOPYRANOSYL)-;SCHEMBL5953787;Q27273671;UNII-A60X6MBU6G;NSC-655649;XL-119;1,11-Dichloro-6-(2-(diethylamino)ethyl)-12,13-dihydro-12-(4-O-methyl-beta-D-glucopyranosyl)-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione;Becatecarin [USAN:INN];BECATECARIN [MART.];DB06362;5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione;CHEMBL2107313;

标识符

InChIKey:
JSKFWUPVIZYJMR-UDOAKELVSA-N
Inchi:
1S/C33H34Cl2N4O7/c1-4-37(5-2)12-13-38-31(43)22-20-15-8-6-10-17(34)24(15)36-25(20)27-21(23(22)32(38)44)16-9-7-11-18(35)26(16)39(27)33-29(42)28(41)30(45-3)19(14-40)46-33/h6-11,19,28-30,33,36,40-42H,4-5,12-14H2,1-3H3/t19-,28-,29-,30-,33-/m1/s1
SMILES:
ClC1=CC=CC2=C1N(C1=C3C(C4C=CC=C(C=4N3)Cl)=C3C(N(CCN(CC)CC)C(C3=C12)=O)=O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)OC)O)O

贝卡特卡林(119673-08-4)物化性质

实验特性

  • LogP : 3.81700
  • PSA : 142.18000
  • 溶解度 : Insuluble (3.1E-5 g/L) (25 ºC),
  • 密度 : 1.61±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 668.18000
  • 氢键供体数量 : 4
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 8
  • 同位素质量 : 668.1804548g/mol
  • 重原子数量 : 46
  • 复杂度 : 1150
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 141Ų

贝卡特卡林(119673-08-4)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海源溪生物科技有限公司 13564518121李经理 1724405207 询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
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上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
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