7-amino-1-heptanol hydrochloride | 168681-46-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 7-amino-1-heptanol hydrochloride
• 英文别名: 7-amino-1-heptanol hydrochloride salt；7-Aminoheptan-1-ol hydrochloride；7-aminoheptan-1-ol;hydrochloride
• CAS: 168681-46-7
• 化学式: C₇H₁₇NO*ClH
• 分子量: 167.679
• InChiKey: VRGLPLPJQJVZLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-amino-1-heptanol hydrochloride 在 sodium hydroxide 、 三甲基氯硅烷 、 N,N-二异丙基乙胺 作用下， 反应 7.33h， 生成 7-amino>methyl>-N-<(phenylmethoxy)carbonyl>amino>heptan-1-ol
  参考文献：
  名称：

  Biomimetic synthesis of (.+-.)-crambines A, B, C1, and C2. Revision of the structure of crambines B and C1

  摘要：

  Crambines A (7) (eight steps, 22%), B (45d) (eight Steps, 19%), C1 (9d) (seven steps, 21%), and C2 (9a) (seven steps, 27%) have been synthesized expediently and stereospecifically by a biomimetic route from methyl acetoacetate. Aminodihydropyrimidines 39 and 40 are formed efficiently from enone ester 36 by a two-step procedure involving addition of O-methylisourea to give methoxydihydropyrimidine 37 followed by displacement of the methoxy group of 37 with ammonia. Hydrogenolysis of 40a and 40d afford crambines C2 and C1, respectively. Mesylation of the alcohol of 39a or 40a followed by Et3N-catalyzed cyclization and hydrogenolysis affords crambine A (7). Aminal formation from 39d or 40d in CHCl3 followed by hydrogenolysis proceeds stereospecifically to provide crambine B (45d). The structure of crambine B has been revised to the stereochemistry shown in 45 and both crambines B and Cl have a seven rather than five-carbon guanidino alkyl chain.

  DOI：

  10.1021/jo00067a014

文献信息

• Matrix metalloprotease inhibitors
  申请人：Syntex (U.S.A.), Inc.

  公开号：US06013792A1

  公开（公告）日：2000-01-11

  Compounds of formula (I): ##STR1## as single stereoisomers or mixtures thereof and their pharmaceutically acceptable salts inhibit matrix metalloproteases, such as interstitial collagenases, and are useful in the treatment of mammals having disease states alleviated by the inhibition of such matrix metalloproteases, for example arthritic diseases or bone resorption disease, such as osteoporosis.

  公式（I）的化合物：##STR1##，作为单一立体异构体或其混合物及其药学上可接受的盐，抑制基质金属蛋白酶，如间质胶原酶，并且在治疗通过抑制这种基质金属蛋白酶而缓解的哺乳动物疾病状态中有用，例如关节炎性疾病或骨吸收疾病，如骨质疏松症。
• MATRIX METALLOPROTEASE INHIBITORS
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0712403B1

  公开（公告）日：1997-09-10
• BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0807114A1

  公开（公告）日：1997-11-19
• US5773428A
  申请人：——

  公开号：US5773428A

  公开（公告）日：1998-06-30
• US6013792A
  申请人：——

  公开号：US6013792A

  公开（公告）日：2000-01-11