Nafarelin Acetate | 86220-42-0

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Nafarelin Acetate
• 英文别名: acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
• CAS: 86220-42-0；76932-60-0
• 化学式: C68H87N17O15
• 分子量: 1382.5
• InChiKey: GUJYDLHACHDKAJ-CFWZQLQRSA-N

物化性质

• 溶解度：
  DMSO：微溶；甲醇：微溶；水：微溶

计算性质

• 辛醇/水分配系数(LogP)：
  -1.53
• 重原子数：
  100
• 可旋转键数：
  33
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  512
• 氢给体数：
  17
• 氢受体数：
  17

安全信息

• WGK Germany：
  3

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT D'UN CARCINOME DE LA PROSTATE
  申请人：PELLFICURE PHARMACEUTICALS INC

  公开号：WO2016040896A1

  公开（公告）日：2016-03-17

  Disclosed herein are 1,4-naphthoquinone analogs, pharmaceutical compositions that include one or more of such 1,4-naphthoquinone analogs, and methods of treating and/or ameliorating diseases and/or conditions associated with a cancer, such as prostate cancer with such 1,4-naphthoquinone analogs. Also included are combination therapies wherein a 1,4-naphthoquinone analog disclosed herein, and a hormone therapy agent are provided to a subject suffering from a condition such as cancer.

  披露的是1,4-萘醌类似物，包括一个或多个这样的1,4-萘醌类似物的药物组合物，以及使用这些1,4-萘醌类似物治疗和/或改善与癌症相关的疾病和/或状况的方法，例如前列腺癌。还包括组合疗法，其中向患有癌症等状况的主体提供在本发明中披露的1,4-萘醌类似物和激素治疗剂。
• 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] POLYMERIC HYPERBRANCHED CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS POLYMÉRIQUES HYPERBRANCHÉS
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024048A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I),wherein POL is a polymeric moiety,each Hyp is independently a hyperbranched moiety,each moiety SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, m is 0 or 1, each n is independently an integer from 2 to 200 and each x is independently 0 or 1. It further relates to pharmaceutical compositions comprising said water- soluble carrier-linked prodrugs and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为（I），其中POL是聚合物基团，每个Hyp是独立的超支化基团，每个基团SP是独立的间隔基团，每个L是独立的可逆前药连接基团，m为0或1，每个n是独立的整数，范围从2到200，每个x是独立的0或1。此外，还涉及包含所述水溶性载体连接的前药的药物组合物和治疗方法。