3-(Benzoylamino) thiophane

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(Benzoylamino) thiophane
• 英文别名: N-(thiolan-3-yl)benzamide
• 化学式: C₁₁H₁₃NOS
• 分子量: 207.29
• InChiKey: DONJDQMILBHKEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS PAR UN ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170324A1

  公开（公告）日：2016-10-27

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R'; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2', which are the same or different, are each H or C1-6 alkyl, or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，是一种具有以下结构的苯并咪唑基异唑烷（I）：其中：R0和R，相同或不同，分别为H或C1-6烷基；R9，R9和R9，相同或不同，分别为H或F；X为-(烷基-，-烷基-C(=O)-NR-，-烷基-NR-C(=O)-或-烷基-C(=O)-；R1从-S(=O)2R'，未取代或取代的4-至6-成员的C-连接的杂环基，以及以下式的N-连接的螺环基中选择：R2和R2'，相同或不同，分别为H或C1-6烷基，或者R2和R2'与它们连接的C原子一起形成C3-6环烷基；R3和R3，相同或不同，分别为H，C1-6烷基，OH或F；R4为苯基或未取代或取代的含氮5-至12-成员的杂芳基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其药用盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症，特别是前列腺癌。
• PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST
  申请人：Tanimoto Koichi

  公开号：US20090258867A1

  公开（公告）日：2009-10-15

  The present invention provides a pyrazolo[1,5-a]pyrimidine compound, having CB1 receptor-antagonizing activity, of the following formula [I]: in which R 1 and R 2 are the same or different and each an optionally substituted aryl group etc, R 0 is hydrogen atom, an alkyl group etc, E is a group of the formula: —C(═O)— or —SO 2 —, R is a group of the following formula [i], [ii] or [iii] etc: Ring A is (a) a C 3-8 cycloalkyl group optionally fused to a benzene ring or (b) a benzene ring, Q is a single bond or a methylene group, Ring B is a 4- to 7-membered aliphatic heterocyclic group, said cyclic group binding via its ring-carbon atom to the adjacent nitrogen atom, X is sulfur atom etc, R 3 is an alkyl group optionally substituted by an alkylthio group, R 4 is hydrogen atom, an alkyl group etc, one of R A and R B is an alkyl group etc, and the other is hydrogen atom, an alkyl group etc, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有CB1受体拮抗活性的吡唑并[1,5-a]嘧啶化合物，其化学式[I]如下：其中，R1和R2相同或不同，分别是可选取代的芳基等；R0是氢原子，烷基等；E是以下式子的基团：—C(═O)—或—SO2—；R是以下式子[i]、[ii]或[iii]等的基团：环A是(a)一个C3-8环烷基，可选地融合到苯环上，或(b)一个苯环；Q是单键或亚甲基基团；环B是一个4-7个成员的脂肪族杂环基团，该环基团通过其环碳原子与相邻的氮原子结合；X是硫原子等；R3是可选取代的烷基，可以是烷基硫基等；R4是氢原子，烷基等；RA和RB中的一个是烷基等，另一个是氢原子，烷基等，或其药学上可接受的盐。
• Pyrazolo[1,5-A]Pyrimidine Compounds
  申请人：Moritani Yasunori

  公开号：US20090069298A1

  公开（公告）日：2009-03-12

  The present invention relates to a novel pyrazolo[1,5-a]pyrimidine compound of the formula [I]: wherein R 1 and R 2 are the same or different and an optionally substituted aryl group etc. Q is single bond, a methylene group or a group of the formula: —N(R Q )—, R Q is an alkyl group, Ring A is a substituted pyrazole ring fused to the adjacent pyrimidine ring having the following formula (A), (B) or (C), R 3 and R 4 are the same or different and a hydrogen atom, a cyano group etc. E is one of the following groups (i) to (v): R 00 is an alkyl group, Q 1 is a single bond etc., Q 2 is a single bond or an alkylene group, one of R 5 and R 6 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., one of R 50 and R 60 is a hydrogen atom or an alkyl group and the other is a hydrogen atom, an alkyl group etc., R 51 is an alkyl group or an optionally substituted arylsulfonyl group, R 61 is an alkylamino group or an azido group, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种新型吡唑并[1,5-a]嘧啶化合物，其化学式为[I]：其中R1和R2相同或不同，可以是任选取代芳基等；Q是单键，亚甲基基团或式子：—N(RQ)—，RQ是烷基基团；环A是一个取代的吡唑环与相邻的嘧啶环融合，具有以下式子(A)、(B)或(C)：其中R3和R4相同或不同，可以是氢原子、氰基等；E是以下式子(i)至(v)中的一种：其中R00是烷基基团，Q1是单键等，Q2是单键或烷基烃基团，R5和R6中的一个是氢原子或烷基基团，另一个是烷基基团等，R50和R60中的一个是氢原子或烷基基团，另一个是氢原子、烷基基团等，R51是烷基基团或任选取代的芳基磺酰基团，R61是烷基氨基基团或叠氮基团，或其药学上可接受的盐。
• Phenyl and Benzodioxinyl Substituted Indazoles Derivatives
  申请人：Berger Markus

  公开号：US20100087489A1

  公开（公告）日：2010-04-08

  A compound of formula Ia: The present invention relates to novel indazolyl derivatives, to pharmaceutical compositions comprising such derivatives, to processes for preparing such novel derivatives and to the use of such derivatives as medicaments

  一种化学式为Ia的化合物：本发明涉及新型吲哚基衍生物，涉及包含这种衍生物的药物组合物，涉及制备这种新型衍生物的方法以及将这种衍生物用作药物的用途。
• PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20150080434A1

  公开（公告）日：2015-03-19

  A compound of formula Ia: The present invention relates to novel indazolyl derivatives, to pharmaceutical compositions comprising such derivatives, to processes for preparing such novel derivatives and to the use of such derivatives as medicaments

  一种式Ia的化合物：本发明涉及新型吲唑基衍生物，包括这种衍生物的制药组合物，制备这种新型衍生物的方法以及将这种衍生物用作药物的用途。

表征谱图