N(α)-p-Toluolsulfonyl-α-amino-δ-guanidyl-valeriansaeure-methylester | 15421-50-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N(α)-p-Toluolsulfonyl-α-amino-δ-guanidyl-valeriansaeure-methylester
• 英文别名: Tos-Arg-OMe；N-p-Toluolsulfonyl-arginin-methylester；Nα-tosylarginine methyl ester；tosylarginine methyl ester；C5117023；Arginine, N(2)-p-toluenesulfonyl-, methyl ester；methyl 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate
• CAS: 15421-50-8
• 化学式: C₁₄H₂₂N₄O₄S
• 分子量: 342.419
• InChiKey: FKMJXALNHKIDOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF
  申请人：Li Min

  公开号：US20130296245A1

  公开（公告）日：2013-11-07

  Provided are a compound of formula (I), pharmaceutically acceptable salts thereof, preparation methods and applications thereof for inhibiting thrombin, and applications in the treatment and prevention of thrombin-mediated and thrombin-related diseases.

  提供了一种化合物的公式(I)，其药用盐，制备方法以及用于抑制凝血酶的应用，以及在治疗和预防凝血酶介导和相关疾病中的应用。
• [EN] PREVENTION AND TREATMENT OF HUMAN METABOLIC SYNDROME INCLUDING TYPE 2 DIABETES, STEATOHEPITITIS AND RELATED CONDITIONS USING NON-ABSORBABLE, ORALLY ADMINISTERED COMPOUNDS<br/>[FR] PRÉVENTION ET TRAITEMENT DU SYNDROME MÉTABOLIQUE HUMAIN COMPRENANT LE DIABÈTE DE TYPE 2, LA STÉATOHÉPATITE ET LES ÉTATS PATHOLOGIQUES ASSOCIÉS À L'AIDE DE COMPOSÉS NON ABSORBABLES ET ADMINISTRÉS PAR VOIE ORALE
  申请人：COREY ELIAS JAMES

  公开号：WO2019118141A1

  公开（公告）日：2019-06-20

  Compounds and oral pharmaceutical compositions which neutralize microbially-produced electrophilic carbonyl species, comprising: a non-absorbable compound containing one or more nitrogen nucleophiles having a first pKa between 5 and 10, and a molecular weight less than 800, wherein said non-absorbable compound reacts locally in the gastrointestinal tract and combines with microbially-produced electrophilic carbonyl species by C-N bond formation, thereby protecting gastrointestinal peptide hormones containing arginine or lysine residues, and also preventing diffusion of said electrophilic species into systemic circulation where they may cause damage to proteins, DNA or RNA that adversely affects health; and a pharmaceutically acceptable carrier or excipient

  中和微生物产生的亲电性酮基物的化合物和口服药物组合物，包括：一种不可吸收的化合物，含有一个或多个氮亲核物质，其第一个pKa值在5到10之间，并且分子量小于800，其中所述不可吸收的化合物在胃肠道内局部反应，并通过C-N键形成与微生物产生的亲电性酮基物结合，从而保护含有精氨酸或赖氨酸残基的胃肠道肽激素，并且防止所述亲电性物质扩散到全身循环中，可能导致对蛋白质、DNA或RNA造成危害，从而影响健康；以及一种药用可接受的载体或赋形剂。
• NOVEL AMIDINE COMPOUNDS
  申请人：TORII & CO., LTD.

  公开号：EP0190356A1

  公开（公告）日：1986-08-13

  Novel amidine compounds represented by formula (I) (wherein R, and R2 each represents hydrogen, a straight or branched chain alkyl group containing 1 to 6 carbon atoms, R3 represents a straight or branched chain alkyl group containing 1 to 6 carbon atoms or R4-B-(VH2)n-, n represents -0- or NH-, R4 represents hydrogen, R5-CO- or -CH2-, R5 represents a straight or branched chain alkyl group containing 1 to 15 carbon atoms, and R, and Ra may optionally form a ring via 2 to 4 carbon atoms which may contain a double bond or a straight or branched alkyl substituent containing 1 to 4 carbon atoms) and medicinally acceptable acid addition salts thereof are useful as orally administrable anti-trypsin, anti-plasmin, anti-kallikrein, anti-thrombin, and anti-complement agents.

  由式(I)代表的新型脒化合物（其中R和R2分别代表氢、含1至6个碳原子的直链或支链烷基，R3代表含1至6个碳原子的直链或支链烷基或R4-B-(VH2)n-，n代表-0-或NH-，R4代表氢、R5-CO-或-CH2-，R5代表含1至15个碳原子的直链或支链烷基、以及 R 和 Ra 可任选通过 2 至 4 个碳原子形成环，环中可含有双键或含有 1 至 4 个碳原子的直链或支链烷基取代基）及其可药用的酸加成盐可用作口服抗胰蛋白酶、抗浆蛋白酶、抗卡利克雷因、抗凝血酶和抗补体制剂。
• Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof
  申请人：TORII & CO., LTD.

  公开号：EP0556024A1

  公开（公告）日：1993-08-18

  Amidinonapththyl furancarboxylate derivatives of the formula I wherein A is a single bond or A denotes a) a phenyl group, a cyclopentyl group or a cyclohexyl group; b) an alkenylphenyl group, an alkylphenyl group, a phenylalkenyl group or a phenylalkyl group wherein alkyl is C₁ to C₇ alkyl and alkenyl is C₁ to C₇ alkenyl; c) a C₁ to C₁₈ alkyl or C₁ to C₇ alkenyl group, which may be substituted by one or two substituents selected from C₁ to C₅ alkyl groups and guanidino groups, wherein an alkyl substituent together with the carbon atom to which it is attached, may form a cycloalkyl ring having from 3 to 6 carbon atoms, or a C₁ to C₅ alkyl may itself be substituted by a cycloalkyl ring; or d) -(CH₂)n-NH-CO-(CH₂)n'- wherein n and n', which may be the same or different, each represent an integer from 1 to 4; and R denotes a hydroxyl group; a C₁ to C₇ alkoxy group which may be mono- or di-substituted by C₁ to C₅ alkyl; a phenyl-C₁-C₄alkoxy group; -OAl(OH)₂; an amino group; and pharmaceutically acceptable acid addition salts thereof are useful as pharmaceuticals.

  式 I 的脒基萘基呋喃羧酸酯衍生物 其中 A 为单键或 A 表示 a) 苯基、环戊基或环己基； b) 烯基苯基、烷基苯基、苯基烯基或苯基烷基，其中烷基为 C₁ 至 C₇ 烷基，烯基为 C₁ 至 C₇ 烯基； c) C₁ 至 C₁₈ 烷基或 C₁ 至 C₇ 烯基，可被一个或两个选自 C₁ 至 C₅ 烷基和胍基的取代基取代、其中，烷基取代基可与所连接的碳原子一起形成具有 3 至 6 个碳原子的环烷基环，或 C₁ 至 C₅ 烷基本身可被环烷基环取代；或 d) -(CH₂)n-NH-CO-(CH₂)n'- 其中 n 和 n'可以相同或不同，各自代表 1 至 4 的整数；以及 R 表示羟基；C₁-C₇烷氧基，可由 C₁ 至 C₅ 烷基单取代或二取代；苯基-C₁-C₄烷氧基；-OAl(OH)₂；氨基； 及其药学上可接受的酸加成盐可用作药物。
• PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF
  申请人：Shanghai Institute of Pharmaceutical Industry

  公开号：EP2639230A1

  公开（公告）日：2013-09-18

  Provided are a compound of formula (I), pharmaceutically acceptable salts thereof, preparation methods and applications thereof for inhibiting thrombin, and applications in the treatment and prevention of thrombin-mediated and thrombin-related diseases.

  本发明提供了一种用于抑制凝血酶的式(I)化合物、其药学上可接受的盐、制备方法及其应用，以及在治疗和预防凝血酶介导的疾病和凝血酶相关疾病中的应用。

表征谱图