N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(isopropylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride | 1126099-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(isopropylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride
• 英文别名: N-[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• CAS: 1126099-50-0
• 化学式: C₂₇H₃₃ClN₆O₃S*ClH
• 分子量: 593.577
• InChiKey: ZDKNWLPDDMPNSE-CPTHBWRSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(isopropylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide 在 盐酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以125 mg的产率得到N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(isopropylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride
  参考文献：
  名称：

  Discovery of N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: A novel, potent and orally active direct inhibitor of factor Xa

  摘要：

  In the early 1990's, we reported on the low-molecular selective fXa inhibitor DX-9065a having two amidino groups. However, it had poor oral bioavailability due to its strong basic amidino groups. To obtain fXa inhibitors with improved oral bioavailability, we investigated various non-amidino fXa inhibitors and finally discovered cis-1,2-diaminocyclohexane derivative 4c to have potent fXa inhibition, promising anticoagulant activity, and good oral bioavailability, compared with amidino compound DX-9065a. In addition, we will discuss the influence of the third substituent on the cyclohexane ring on anti-fXa activity, anticoagulant activity, PK profile, and lipophilicity. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.037

文献信息

• ETHYLENEDIAMINE DERIVATIVES
  申请人：YOSHINO Toshiharu

  公开号：US20090227789A1

  公开（公告）日：2009-09-10

  The invention relates a compound represented by the formula (1): Q 1 -Q 2 -C(═O)—N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 (1) wherein R 1 and R 2 represent H or the like; Q 1 represents an aromatic ring, heterocyclic ring or the like; Q 2 represents a single bond, aromatic ring, heterocyclic ring or the like; Q 3 represents a group or the like, Q 4 represents an aromatic ring, heterocyclic ring or the like; and T 1 represents —CO— or —SO 2 —, and a medicine which comprises the compound and is useful for thrombosis and embolism.

  本发明涉及一种化合物，其表示为公式（1）：Q1-Q2-C（═O）-N（R1）-Q3-N（R2）-T1-Q4（1），其中R1和R2表示H或类似物；Q1表示芳香环、杂环或类似物；Q2表示单键、芳香环、杂环或类似物；Q3表示基团或类似物，Q4表示芳香环、杂环或类似物；T1表示—CO—或—SO2—，以及一种包含该化合物的药物，适用于血栓和栓塞。
• Ethylenediamine derivatives
  申请人：——

  公开号：US20040122063A1

  公开（公告）日：2004-06-24

  The invention relates a compound represented by the formula (1): Q 1 -Q 2 -C(═O)—N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 ( 1 ) wherein R 1 and R 2 represent H or the like; Q 1 represents an aromatic ring, heterocyclic ring or the like; Q 2 represents a single bond, aromatic ring, heterocyclic ring or the like; Q 3 represents a group 1 or the like, Q 4 represents an aromatic ring, heterocyclic ring or the like; and T 1 represents —CO— or —SO 2 —, and a medicine which comprises the compound and is useful for thrombosis and embolism.

  本发明涉及一种由式（1）表示的化合物：Q1-Q2-C(═O)—N(R1)-Q3-N(R2)-T1-Q4(1)，其中R1和R2代表H或类似物；Q1代表芳香环，杂环或类似物；Q2代表单键，芳香环，杂环或类似物；Q3代表群1或类似物，Q4代表芳香环，杂环或类似物；T1代表—CO—或—SO2—，以及包含该化合物并对治疗血栓和栓塞有用的药物。
• Monoacylated 1,2-diaminocycloalkanes
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2431370B1

  公开（公告）日：2013-06-19
• US7192968B2
  申请人：——

  公开号：US7192968B2

  公开（公告）日：2007-03-20