(S)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester | 1374020-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester
• 英文别名: [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(4-octanoylphenoxy)decanoate
• CAS: 1374020-28-6
• 化学式: C₂₇H₄₃NO₅
• 分子量: 461.642
• InChiKey: QINJSSLOPUFSAA-OFVILXPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  33
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4’-羟基苯辛酮 在 草酰氯 、 lithium hydroxide monohydrate 、 水 、 碘 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 44.0h， 生成 (S)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester 、 (R)-2-[4-octanoylphenoxy]decanoic acid (S)-lactamide ester
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER
  [FR] COMPOSÉS ET COMPOSITIONS POUR LE TRAITEMENT DU CANCER

  摘要：

  苯基酮羧酸酯化合物及取代的芳香族化合物I、I.1、I.2、IA、IB、IC和II及其药学上可接受的盐的新用途，用于治疗癌症。描述了两种这些化合物的组合使用，以及这些化合物中的一种与抗癌剂（如脱碳酰胺、阿霉素、柔红霉素、环磷酰胺、白消安、白消安、长春碱、长春新碱、博来霉素、依托泊苷、拓扑替康、伊立替康、紫杉醇、紫杉醇、5-氟尿嘧啶、甲氨蝶呤、吉西他滨、顺铂、卡铂和苯丁酸氮芥）组合使用的方法。

  公开号：

  WO2012097427A1

文献信息

• [EN] PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL USES THEREOF<br/>[FR] COMPOSÉS DE CARBOXYLATE DE PHÉNYLCÉTONE ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：PROMETIC BIOSCIENCES INC

  公开号：WO2012055014A1

  公开（公告）日：2012-05-03

  Phenylketone carboxylate compounds of Formula I, wherein n=2-6; R=C(0); -OC(O)- or -CH( OH)-; A is (CH2)mCOOH, W(CH2)mCOOH or YCH(COOH)((CH2)pCH3) when B is Ft B is (CH2)mCOOH, W(CH2)mCOOH or YCH(COOH)((CH2)pCH3) when A is Ft or A snd B form a 5-7 membered cycloalkyl substituted with COOFt W=0, S or NFt Y=0,S,NH or CH2; m=0-2; p=l-7; have been prepared. These compounds and their pharmaceutically acceptable salts have beneficial therapeutic effects to prevent or treat a condition related to (l) blood disorders, (ii) inflammation related diseases, (iii) renal disorders and/or renal disorders complications, or (iv) fibrosis-related organ dysfunction.

  Phenylketone羧酸酯化合物的化学式I，其中n=2-6；R=C(0); -OC(O)-或-CH( OH)-；A是(CH2)mCOOH，W( )mCOOH或YCH(COOH)(( )pCH3)，当B是Ft时B是( )mCOOH，W( )mCOOH或YCH(COOH)(( )pCH3)，当A是Ft时或A和B形成一个含有COOFt的5-7元环烷基取代物。W=0，S或NFt；Y=0，S，NH或 ；m=0-2；p=1-7；已经制备。这些化合物及其药学上可接受的盐对预防或治疗与（l）血液疾病有关的情况，（ii）炎症相关疾病，（iii）肾功能紊乱和/或肾功能紊乱并发症，或（iv）纤维化相关器官功能障碍具有有益的治疗效果。
• [EN] PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS<br/>[FR] COMPOSÉS CARBOXYLATE DE PHÉNYLCÉTONE ET COMPOSITIONS PHARMACEUTIQUES DE PRÉVENTION ET DE TRAITEMENT DE L'OSTÉOPOROSE
  申请人：PROMETIC BIOSCIENCES INC

  公开号：WO2016054725A1

  公开（公告）日：2016-04-14

  The present invention concerns the use of compounds for preventing and/or treating osteoporosis, for stimulating bone formation, for stimulating the differentiation and mineralization of osteoblasts, or for inhibiting bone resorption in a subject. These novel uses have been found for compounds represented by Formula I and pharmaceutically acceptable salts thereof. wherein: R1and R2 are independently equal to H, F or OH; A is (CH2)mCOOH, W(CH2)mCOOH, or Y-CH(COOH)-(CH2)p-CH3 when B is H; or B is (CH2)mCOOH, W(CH2)mCOOH, or Y-CH(COOH)-(CH2)p-CH3 when A is H; or A and B are covalently bonded to form a five (5), six (6), or seven (7)-membered cycloalkyl substituted with COOH; where: Y is O, S, HN or CH2; W is 0, S or NH; m is 0-2; and p is 3-7; D is CO(CH2)nCH3 or CHOH(CH2)nCH3 or 0(CH2)nCH3 where n is 2-6; and E is H or F.

  本发明涉及利用化合物预防和/或治疗骨质疏松症，刺激骨形成，促进成骨细胞的分化和矿化，或抑制受试者骨吸收的用途。已发现这些新用途适用于由式I表示的化合物及其药学上可接受的盐。其中：R1和R2独立地等于H、F或OH；A为(CH2)mCOOH、W( )mCOOH或Y-CH(COOH)-( )p-CH3（当B为H时）；或者B为( )mCOOH、W( )mCOOH或Y-CH(COOH)-( )p- （当A为H时）；或者A和B以共价键结合形成带有COOH的五(5)、六(6)或七(7)元环烷基；其中：Y为O、S、HN或 ；W为O、S或NH；m为0-2；p为3-7；D为CO( )n 或CHOH( )n 或O( )n ，其中n为2-6；E为H或F。
• Compounds and Compositions for the Treatment of Cancer
  申请人：Gagnon Lyne

  公开号：US20130217645A1

  公开（公告）日：2013-08-22

  New uses for phenylketone carboxylate compounds and substituted aromatic compounds of Formula I, Formula I.1, Formula I.2, Formula IA, Formula IB, Formula IC and Formula II and their pharmaceutical acceptable salts for the treatment of cancer. The use of a combination of two of these compounds is described and the use of the combination of one of these compounds with an anticancer agent such as decarbazine, doxorubicin, daunorubicin, cyclophosphamide, busulfex, busulfan, vinblastine, vincristine, bleomycin, etoposide, topotecan, irinotecan, taxotere, taxol, 5-fluorouracil, methotrexate, gemcitabine, cisplatin, carboplatin and chlorambucil.

  苯丙酮羧酸酯化合物和式I、式I.1、式I.2、式IA、式IB、式IC和式II以及它们的药用盐的新用途是治疗癌症。描述了使用其中两种化合物的组合，以及将其中一种化合物与抗癌药物（如去甲嘧啶、多柔比星、多柔比霉素、环磷酰胺、丁磺酰氮芥、丁磺酰胺、长春新碱、长春瑞滨、卡铂、依托泊苷、托泊替康、伊立替康、紫杉醇、紫杉烷、5-氟尿嘧啶、甲氨蝶呤、吉西他滨、顺铂和氯氨苷）组合使用的用途。
• Phenylketone Carboxylate Compounds and Pharmaceutical Uses Thereof
  申请人：Zacharie Boulos

  公开号：US20130225681A1

  公开（公告）日：2013-08-29

  Phenylketone carboxylate compounds of Formula I, wherein n=2-6; R═C(0); —OC(O)— or —CH(OH)—; A is (CH2)mCOOH, W(CH2)mCOOH or YCH(COOH)((CH2)pCH3) when B is Ft B is (CH2)mCOOH, W(CH2)mCOOH or YCH(COOH)((CH2)pCH3) when A is Ft or A and B form a 5-7 membered cycloalkyl substituted with COOFt W=0, S or NFt Y=0,S,NH or CH2; m=0-2; p=1-7; have been prepared. These compounds and their pharmaceutically acceptable salts have beneficial therapeutic effects to prevent or treat a condition related to (l) blood disorders, (ii) inflammation related diseases, (iii) renal disorders and/or renal disorders complications, or (iv) fibrosis-related organ dysfunction.

  公式I中的苯基酮羧酸酯化合物，其中n=2-6; R═C(0); —OC(O)— 或 —CH(OH)—; 当B为Ft时，A为(CH2)mCOOH，W( )mCOOH或YCH(COOH)(( )pCH3)，当A为Ft时，B为( )mCOOH，W( )mCOOH或YCH(COOH)(( )pCH3)，当A和B形成一个取代有COOFt的5-7环烷基时；W=0、S或NFt；Y=0、S、NH或 ；m=0-2；p=1-7。这些化合物及其药学上可接受的盐具有有益的治疗效果，可预防或治疗与(l)血液疾病有关的疾病，(ii)与炎症有关的疾病，(iii)肾脏疾病和/或肾脏疾病并发症，或(iv)与纤维化相关的器官功能障碍。
• Compounds and Pharmaceutical Compositions for Uses in Diabetes
  申请人：Gagnon Lyne

  公开号：US20130225683A1

  公开（公告）日：2013-08-29

  New uses for phenylketone carboxylate compounds and substituted aromatic compounds of Formula I, Formula I, IA, IB and IC, and their pharmaceutical acceptable salts are described for prevention or treatment of diabetes or a diabetes-related disorder in a subject in need thereof. Diabetes and diabetes-related disorder include Type I diabetes, Type II diabetes, maturity-onset diabetes of the young, latent autoimmune diabetes of adults (LADA), gestational diabetes, diabetic nephropathy, proteinuria, ketonuria, obesity, hyperglycemia, glucose intolerance, insulin resistance, hyperinsulinemia, hypercholesterolemia, hypertension, hyperlipoproteinemia, hyperlipidemia, hypertriglyceridemia, dyslipidemia, metabolic syndrome, syndrome X, diabetic neuropathy, diabetic retinopathy, hypoglycemia, cardiovascular disease, atherosclerosis, diabetic kidney disease, ketoacidosis, thrombotic disorders, sexual dysfunction, dermatopathy, edema, metabolic syndrome and renal disorders. The related pharmaceutical compositions and methods are also described. These compounds can be used in combination with comprising a therapeutic agent for lowering or controlling blood glucose level such as metformin or a thiazolidinedione.

  本文描述了苯丙酮羧酸酯化合物和公式I、公式I、IA、IB和IC的取代芳香族化合物及其药物可接受的盐的新用途，用于预防或治疗需要的患有糖尿病或糖尿病相关疾病的受试者。糖尿病和糖尿病相关疾病包括1型糖尿病、2型糖尿病、成年发病型糖尿病、成人隐性自身免疫性糖尿病（LADA）、妊娠期糖尿病、糖尿病肾病、蛋白尿、酮尿症、肥胖症、高血糖、葡萄糖耐受不良、胰岛素抵抗、高胰岛素血症、高胆固醇血症、高血压、高脂蛋白血症、高脂血症、高三酸甘油酯血症、代谢综合征、X综合征、糖尿病神经病变、糖尿病视网膜病变、低血糖、心血管疾病、动脉硬化、糖尿病肾病、酮症酸中毒、血栓性疾病、性功能障碍、皮肤病、水肿、代谢综合征和肾脏疾病。同时还描述了相关的药物组合和方法。这些化合物可以与降低或控制血糖水平的治疗剂如二甲双胍或噻唑烷二酮一起使用。