1,4-dihydro-benzo[d][1,3]thiazin-2-one | 553-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1,4-dihydro-benzo[d][1,3]thiazin-2-one
• 英文别名: 1,4-Dihydro-benzo[d][1,3]thiazin-2-on；(4H)-3,1-benzothiazine-2-one；1,4-Dihydro-2H-3,1-benzothiazin-2-one；1,4-dihydro-3,1-benzothiazin-2-one
• CAS: 553-04-8
• 化学式: C₈H₇NOS
• 分子量: 165.216
• InChiKey: BNIUUURYVJQILK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-dihydro-benzo[d][1,3]thiazin-2-one 在 sodium hydroxide 、 sodium 、 苯 作用下， 生成 (2-methylamino-phenyl)-methanethiol
  参考文献：
  名称：

  Goerdeler; Kandler, Chemische Berichte, 1959, vol. 92, p. 1679,1693

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-dihydro-benzo[d][1,3]thiazine-2-thione 在 氢氧化钾 、 双氧水 作用下， 生成 1,4-dihydro-benzo[d][1,3]thiazin-2-one
  参考文献：
  名称：

  Kitamura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1934, vol. 54, p. 4,10,98; dtsch.Ref.S.4,7,12

  摘要：

  DOI：

文献信息

• Untersuchungen über 4,5-Benzo-1,3-thiazine
  作者：E. Sorkin、W. Hinden

  DOI：10.1002/hlca.19490320113

  日期：1949.2.1

  Es wird über einige Verbindungen berichtet, die sich von in 2-Stellung substituierten 4,5-Benzo-1,3-thiazinen und vom Cyclohexeno-1, 3-thiazin ableiten.

  据报道一些化合物衍生自在2-位被取代的4,5-苯并-1,3-噻嗪和环己烯-1,3-噻嗪。
• Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same
  申请人：DONG-A PHARM. CO., LTD.

  公开号：EP0510235A1

  公开（公告）日：1992-10-28

  Novel benzoxazine or benzothiazine derivatives of the formaula(A),    wherein R₁, R₂ and R₃ are the same or different and represent hydrogen atom or C₁₋₄ lower alkyl group and X and Y are the same or different and represent oxygen or sulfur atom; have an excellent inotropic effect and can be used as cardiac stimulant.

  新型苯并噁嗪或苯并噻嗪衍生物的化学式(A)，其中R₁、R₂和R₃相同或不同，代表氢原子或C₁₋₄低碳基团，X和Y相同或不同，代表氧或硫原子；具有出色的正性肌力作用，可用作心脏兴奋剂。
• N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof
  申请人：Fryer Andrew M.

  公开号：US20080242656A1

  公开（公告）日：2008-10-02

  The present invention provides a compound having aggrecanase inhibitory activity and MMP-13 inhibitory activity, and useful as a therapeutic agent for osteoarthritis, rheumatoid arthritis and the like, more specifically, a N-substituted-N-sulfonylaminocyclopropane compound of formula (1) wherein R 1 is —W-A 1 -W 1 -A 2 , W is —(CH 2 ) m —X—(CH 2 ) n —, wherein W 1 is —(CH 2 ) m1 —X 1 —(CH 2 ) n1 —, m, m1, n and n1 are the same or different and each is 0 to 6, X and X 1 are the same or different and each is a single bond, etc., A 1 is an optionally substituted C 3-14 hydrocarbon ring group, etc. and A 2 is a substituted C 3-14 hydrocarbon ring group etc.; R 2 is —(CH 2 ) r —CO—R 8 , etc., wherein r is 0 to 6 and R 8 is a C 1-6 alkoxy group, etc.; R 3 and R 4 are the same or different and each is a hydrogen atom, a C 1-6 alkyl group, etc.; and R 5 is —CO 2 R 21 , etc.; R 30 and R 31 are the same or different and each is a hydrogen atom, etc.; or a prodrug thereof or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有抑制聚集素酶和MMP-13的抑制活性，并且作为治疗骨关节炎、类风湿性关节炎等疾病的治疗剂的化合物，更具体地，是公式（1）中的N-取代-N-磺酰基氨基环丙烷化合物，其中R1为—W-A1-W1-A2，W为—（CH2）m—X—（CH2）n—，其中W1为—（CH2）m1—X1—（CH2）n1—，m，m1，n和n1相同或不同，每个为0至6，X和X1相同或不同，每个为单键，等等，A1为可选取代的C3-14碳氢环基等，A2为取代的C3-14碳氢环基等；R2为—（CH2）r—CO—R8等，其中r为0至6，R8为C1-6烷氧基等；R3和R4相同或不同，每个为氢原子、C1-6烷基等；R5为—CO2R21等；R30和R31相同或不同，每个为氢原子等；或其前药或药学上可接受的盐。
• CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF
  申请人：INABA Takashi

  公开号：US20080261994A1

  公开（公告）日：2008-10-23

  The present invention provides a compound having aggrecanase inhibitory activity and MMP-13 inhibitory activity, and useful as a therapeutic agent for osteoarthritis, rheumatoid arthritis and the like, more specifically, a cyclopropane compound of formula (1): wherein R 1 is —(CH 2 ) m —X—(CH 2 ) n -A 1 etc., wherein m and n are the same or different and each is 0 to 6, X is a single bond, etc. and A 1 is a substituted C 3-14 hydrocarbon ring group, etc.; R 2 and R 3 are the same or different and each is a hydrogen atom, —(CH 2 ) p —X 1 —(CH 2 ) q -A 2 , etc., wherein p and q are the same or different and each is 0 to 6, X 1 is a single bond, etc. and A 2 is an optionally substituted C 3-14 hydrocarbon ring group, etc.; R 4 is —CO 2 R 9 , etc., wherein R 9 is a hydrogen atom, etc.; and R 20 and R 21 are the same or different and each is a hydrogen atom, —(CH 2 ) m12 —X 12 —(CH 2 ) m12 —R 30 , etc., wherein m12 and m12 are the same or different and each is 0 to 6, X 12 is a single bond, etc. and R 30 is a hydrogen atom, etc.; or a prodrug thereof or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有抑制aggrecanase和MMP-13活性的化合物，可用作治疗骨关节炎，类风湿性关节炎等疾病的治疗剂，更具体地说，是式（1）的环丙烷化合物：其中，R1为—（CH2）m—X—（CH2）n-A1等，其中m和n相同或不同，每个为0至6，X为单键等，A1为取代的C3-14烃环基等；R2和R3相同或不同，每个为氢原子，—（CH2）p—X1—（CH2）q-A2等，其中p和q相同或不同，每个为0至6，X1为单键等，A2为可选取代的C3-14烃环基等；R4为—CO2R9等，其中R9为氢原子等；以及R20和R21相同或不同，每个为氢原子，—（CH2）m12—X12—（CH2）m12—R30等，其中m12和m12相同或不同，每个为0至6，X12为单键等，R30为氢原子等；或其前药或其药学上可接受的盐。
• Cyclopropane compounds and pharmaceutical use thereof
  申请人：Inaba Takashi

  公开号：US20080306258A1

  公开（公告）日：2008-12-11

  The present invention provides a compound having aggrecanase inhibitory activity and MMP-13 inhibitory activity, and useful as a therapeutic agent for osteoarthritis, rheumatoid arthritis and the like, more specifically, a cyclopropane compound of formula (1): wherein R 1 is —(CH 2 ) m —X—(CH 2 ) n -A 1 etc., wherein m and n are the same or different and each is 0 to 6, X is a single bond, etc. and A 1 is a substituted C 3-14 hydrocarbon ring group, etc.; R 2 and R 3 are the same or different and each is a hydrogen atom, —(CH 2 ) p —X 1 —(CH 2 ) q -A 2 , etc., wherein p and q are the same or different and each is 0 to 6, X 1 is a single bond, etc. and A 2 is an optionally substituted C 3-14 hydrocarbon ring group, etc.; R 4 is —CO 2 R 9 , etc., wherein R 9 is a hydrogen atom, etc.; and R 20 and R 21 are the same or different and each is a hydrogen atom, —(CH 2 ) m12 —X 12 —(CH 2 ) m12 —R 30 etc., wherein m12 and m12 are the same or different and each is 0 to 6, X 12 is a single bond, etc. and R 30 is a hydrogen atom, etc.; or a prodrug thereof or a pharmaceutically acceptable salt thereof.

  本发明提供一种具有抑制Aggrecanase和MMP-13活性的化合物，可用作治疗骨关节炎、类风湿性关节炎等疾病的治疗剂，更具体地说，是一种式为（1）的环丙烷化合物：其中R1为—（CH2）m—X—（CH2）n-A1等，其中m和n相同或不同，每个为0至6，X为单键等，A1为取代的C3-14烃基环等；R2和R3相同或不同，每个为氢原子，—（CH2）p—X1—（CH2）q-A2等，其中p和q相同或不同，每个为0至6，X1为单键等，A2为可选择取代的C3-14烃基环等；R4为—CO2R9等，其中R9为氢原子等；R20和R21相同或不同，每个为氢原子，—（CH2）m12—X12—（CH2）m12—R30等，其中m12和m12相同或不同，每个为0至6，X12为单键等，R30为氢原子等；或其前药或药学上可接受的盐。