Myocet | 111266-55-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: Myocet
• 英文别名: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;2-hydroxypropane-1,2,3-tricarboxylic acid
• CAS: 111266-55-8
• 化学式: C33H37NO18
• 分子量: 735.6
• InChiKey: INEKNBHAPBIAFK-RUELKSSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.25
• 重原子数：
  52
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  338
• 氢给体数：
  10
• 氢受体数：
  19

文献信息

• COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S
  申请人：Lyons John Francis

  公开号：US20100021420A1

  公开（公告）日：2010-01-28

  A combination comprising (a) a compound of formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is R 1 -A-NR 4 — or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO 2 , C═O, NR 9 (C═O) or 0(C═O) wherein R 9 is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1 to 3 carbon atoms; R 1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or an optionally substituted C 1-8 hydrocarbyl group wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO 2 ; R 2 is hydrogen; halogen; C 1-4 alkoxy; or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or C 1-4 alkoxy; R 3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R 4 is hydrogen or a C 1-4 hydrocarbyl group optionally substituted by halogen, hydroxyl or C 1-4 alkoxy; and (b) a compound of formula (I′″) or salts, tautomers, solvates and N-oxides thereof: wherein R 1 is 2,6-dichlorophenyl; R 2a and R 2b are both hydrogen; and R 3 is a group: formula (A) where R 4 is C 1-4 alkyl.

  一个组合物，包括（a）式（0）的化合物：或其盐或互变异构体或N-氧化物或溶剂合物；其中X为R1-A-NR4-或5-或6-成员的碳环或杂环环；A为键，SO2，C═O，NR9（C═O）或0（C═O），其中R9为氢或C1-4烃基，可选择地被羟基或C1-4烷氧基取代；Y为键或1至3个碳原子的烷基链；R1为氢；具有3至12个环成员的碳环或杂环基；或可选择地被卤代、羟基或C1-4烷氧基取代的C1-8烃基，其中烃基的1或2个碳原子可选择地被从O、S、NH、SO、SO2中选择的原子或基团取代；R2为氢；卤素；C1-4烷氧基；或可选择地被卤代、羟基或C1-4烷氧基取代的C1-4烃基；R3选自氢和具有3至12个环成员的碳环或杂环基；和R4为氢或可选择地被卤代、羟基或C1-4烷氧基取代的C1-4烃基；和（b）式（I′″）的化合物或其盐、互变异构体、溶剂合物和N-氧化物：其中R1为2,6-二氯苯基；R2a和R2b均为氢；和R3为一个基团：式（A），其中R4为C1-4烷基。
• PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA
  申请人：Curry Jayne Elizabeth

  公开号：US20100055094A1

  公开（公告）日：2010-03-04

  The invention provides combinations of an ancillary compound and a compound which is a salt of 1-cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea selected from the lactate and citrate salts and mixtures thereof. Also provided are crystalline forms of the salts, methods for making the salts and their uses in treating cancers. The invention further provides combinations of an ancillary compound and a compound of the formula (I) as defined in PCT/GB2004/002824 (WO 2005/002552) or a compound of the formula (I′) or a salt, solvate, tautomer or N-oxide thereof, wherein R 1 , E, A and M are as defined in the claims.

  该发明提供了一种辅助化合物和一种盐化合物的组合物，所述盐化合物为1-环丙基-3-[3-(5-吗啉-4-基甲基-1H-苯并咪唑-2-基)-1H-吡唑-4-基]-脲的盐，所述盐选自乳酸盐和柠檬酸盐及其混合物。还提供了所述盐的晶型形式，制备所述盐的方法以及它们在治疗癌症中的用途。该发明进一步提供了一种辅助化合物和根据PCT/GB2004/002824（WO 2005/002552）中定义的式（I）或式（I'）的化合物的组合物，或者其盐、溶剂化合物、互变异构体或N-氧化物，其中R1、E、A和M如权利要求中所定义。
• PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS
  申请人：Thompson Neil Thomas

  公开号：US20100166699A1

  公开（公告）日：2010-07-01

  The invention provides a combination comprising an ancillary compound (e.g. one, two or more ancillary compounds) and a compound of the formula (I) having protein kinase B inhibiting activity: wherein A is a saturated hydrocarbon linker group containing from 1 to 7 carbon atoms, the linker group having a maximum chain length of 5 atoms extending between R 1 and NR 2 R 3 and a maximum chain length of 4 atoms extending between E and NR 2 R 3 , wherein one of the carbon atoms in the linker group may optionally be replaced by an oxygen or nitrogen atom; and wherein the carbon atoms of the linker group A may optionally bear one or more substituents selected from oxo, fluorine and hydroxy, provided that the hydroxy group when present is not located at a carbon atom a with respect to the NR 2 R 3 group and provided that the oxo group when present is located at a carbon atom a with respect to the NR 2 R 3 group; E is a monocyclic or bicyclic carbocyclic or heterocyclic group; R is an aryl or heteroaryl group; and R 2 , R 3 , R 4 and R 5 are as defined in the claims. Also provided are patient packs, pharmaceutical kits and packs and compositions containing the combinations, methods for preparing the combinations and their use in combination therapy as anticancer agents.

  该发明提供了一种组合物，包括一个辅助化合物（例如一个、两个或更多个辅助化合物）和具有蛋白激酶B抑制活性的式（I）化合物：其中A是含有1至7个碳原子的饱和碳氢链连接基团，连接基团在R1和NR2R3之间延伸的最大链长为5个原子，在E和NR2R3之间延伸的最大链长为4个原子，其中连接基团中的一个碳原子可以选择性地被氧原子或氮原子取代；连接基团A的碳原子可以选择性地携带来自酮基、氟和羟基的一个或多个取代基，前提是当羟基存在时，不位于相对于NR2R3基团的碳原子a处，且当酮基存在时，位于相对于NR2R3基团的碳原子a处；E是单环或双环碳环或杂环基团；R是芳基或杂芳基团；R2、R3、R4和R5如权利要求中所定义。还提供了患者包装、药物配套和包装以及含有这些组合物的组合物、制备这些组合物的方法以及它们作为抗癌剂的联合治疗中的用途。
• [EN] THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS<br/>[FR] COMPOSES D'AMIDE THIOPHENIQUE DESTINES A ETRE UTILISES DANS LE TRAITEMENT OU LA PROPHYLAXIE DU CANCER
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006040569A1

  公开（公告）日：2006-04-20

  The invention provides the use of a compound for the manufacture of a medicament for the prophylaxis or treatment of a cancer or a para-neoplastic effect associated with a cancer, the para-neoplastic effect being other than cachexia, and the compound being a compound of the formula (I), or a salt, solvate or N-oxide thereof, wherein: R1 and R2 are the same or different and each is selected from hydrogen, C1-4 hydrocarbyl, halogen and cyano; X is selected from C=O, C=S, C(=O)NH, C(=S)NH, C(=O)O, C(=O)S, C(=S)O and C(=S)S; R3 is an aryl or heteroaryl group of 5 to 12 ring members optionally substituted by one or more substituent groups R7 wherein R7 is as defined in the claims; R4 is a group YR5 or a group R6; Y is NH, O or S; R5 is selected from (a) optionally substituted carbocyclic and heterocyclic groups having from 3 to 12 ring members; and (b) optionally substituted C1-8 hydrocarbyl 20 groups; and R6 is an optionally substituted heterocyclic group having from 4 to 12 ring members and containing at least one ring nitrogen atom through which R6 is linked to the adjacent carbonyl group.

  该发明提供了一种化合物的用途，用于制造用于预防或治疗癌症或与癌症相关的癌前病变效应的药物，其中癌前病变效应不包括虚弱症，该化合物为式(I)的化合物，或其盐、溶剂合物或N-氧化物，其中：R1和R2相同或不同，每个均选自氢、C1-4烃基、卤素和氰基；X选自C=O、C=S、C(=O)NH、C(=S)NH、C(=O)O、C(=O)S、C(=S)O和C(=S)S；R3为含有5至12个环成员的芳基或杂芳基，可以选择地被一个或多个取代基R7取代，其中R7如索引中定义；R4为一个基团YR5或一个基团R6；Y为NH、O或S；R5选自(a)从3到12个环成员的可选择取代的碳环和杂环基团；以及(b)可选择取代的C1-8烃基基团；R6为一个含有从4到12个环成员的可选择取代的杂环基团，并且至少包含一个环氮原子，通过该环氮原子，R6与相邻的酰基基团连接。
• [EN] 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS<br/>[FR] COMPOSES PHARMACEUTIQUES DE 5-MORPHOLINYLMETHYLTHIOPHENYLE UTILISES COMME MODULATEURS DE LA P38 MAP KINASE
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005100338A1

  公开（公告）日：2005-10-27

  The invention provides compounds of the formula (I) or a salt, solvate or N-oxide thereof, wherein:R1 and R2 are the same or different and each is selected from hydrogen, saturated C1-3 hydrocarbyl, halogen and cyano; X is selected from C=O, C=S, C(=O)NH, C(=S)NH, C(=O)O, C(=O)S, C(=S)O and C(=S)S; R3 is selected from aryl and heteroaryl groups each having from 5 t0 12 ring members and being unsubstituted or substituted by one or more substituent groups R10 as defined in the claims; R4 and R5 are the same or different and are selected from hydrogen and methyl; or one of R4 and R5 is selected from hydroxymethyl and ethyl and the other is hydrogen; and R6 and R7 are the same or different and are selected from hydrogen and methyl. The compounds of the formula (I) hayed activity as p38 MAP kinase and Taf kinase inhibitors.

  该发明提供了化合物的结构式(I)或其盐、溶剂合物或N-氧化物，其中：R1和R2相同或不同，每个都选择自氢、饱和的C1-3烃基、卤素和氰基；X选择自C=O、C=S、C(=O)NH、C(=S)NH、C(=O)O、C(=O)S、C(=S)O和C(=S)S；R3选择自芳香族和杂环芳基，每个有5到12个环成员，并且未取代或通过一个或多个在权利要求中定义的取代基R10取代；R4和R5相同或不同，选择自氢和甲基；或者R4和R5中的一个选择自羟甲基和乙基，另一个为氢；R6和R7相同或不同，选择自氢和甲基。该结构式(I)的化合物具有作为p38 MAP激酶和Taf激酶抑制剂的活性。