alpha-酮基异己酸钠盐 | 4502-00-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 中文名称: alpha-酮基异己酸钠盐
• 中文别名: Α-酮异己酸钠；α-酮异己酸钠；a-酮基异己酸钠盐;；4-甲基-2-氧代-戊酸钠盐；A-酮基异己酸钠盐；4-甲基-2-氧代戊酸钠盐；a-酮基异己酸钠盐；α-酮基异己酸钠盐
• 英文名称: 4-methyl-2-Oxovalerate (sodium salt)
• CAS: 4502-00-5
• 化学式: C6H10NaO3
• 分子量: 153.13
• InChiKey: NVPLKQSQRQOWCP-UHFFFAOYSA-N

物化性质

• 熔点：
  275 °C (dec.)(lit.)
• 溶解度：
  可微溶于水
• LogP：
  0.17

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• WGK Germany：
  3
• 海关编码：
  2918300090
• 安全说明：
  S22,S24/25

文献信息

• Imidazole-containing inhibitors of farnesyl protein transferase
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP0675112A1

  公开（公告）日：1995-10-04

  Inhibition of farnesyl transferase, which is an enzyme involved in ras oncogene expression, is effected by compounds of the formula their enantiomers, diastereomers, and pharmaceutically acceptable salts, prodrugs, and solvates, wherein:    G is    G¹ is    G² is or -NR¹⁰-CH(Q¹)-;    J, K and L are each, independently, N, NR⁹, O, S or CR¹⁰ with the provisos that only one of the groups J, K and L can be O or S, and at least one of the groups J or L must be N, NR⁹, O or S to form a fused five-membered heteroring; the bond between J and K or K and L may also form one side of a phenyl ring fused to the fused five-membered heteroring;    Q is aryl;    Q¹, A¹ and A² are each, independently, H, alkyl, substituted alkyl, phenyl or substituted phenyl;    G³ is R¹¹, -C(O)OR¹¹, -C(O)NR¹¹R¹², 5-tetrazolyl, -C(O)N(R¹³)OR¹¹, -C(O)NHSO₂R¹⁴ or -CH₂OR¹¹;    G⁴ is attached at the 1, 2, 4 or 5 position and optionally substituted, at any of the available position or positions on the ring, with halo, alkyl or substituted alkyl having 1 to 20 carbon atoms, alkoxy, aryl, aralkyl, hydroxy, alkanoyl, alkanoyloxy, amino, alkylamino, dialkylamino, alkanoylamino, thiol, alkylthio, alkylthiono, alkylsulfonyl, sulfonamido, nitro, cyano, carboxy, carbamyl, N-hydroxycarbamyl, N-alkylcarbamyl, N-dialkylcarbamyl, alkoxycarbonyl, phenyl, substituted phenyl, or a combinaton of these groups;    Y and Z are each, independently, -CH₂- or -C(O)-;    R¹ - R¹⁴ are each, independently, H or alkyl having 1 to 20 carbon atoms;    R⁷, R⁸ and R¹⁴ may also be aryl or aralkyl, and R³, R⁹, R¹¹, R¹² and R¹³ may also be aralkyl;    m, n and p are each, independently, 0 or an integer from 1 to 2;    q is 0 or an integer from 1 to 4; and    the dotted line represents an optional double bond.

  抑制法尼醇转移酶是一种参与ras癌基因表达的酶，其受化合物的影响，其化合物包括其对映异构体、非对映异构体和药用可接受的盐、前药和溶剂化合物，其中： G为G¹为G²为或-NR¹⁰-CH(Q¹)-；J、K和L分别独立地为N、NR⁹、O、S或CR¹⁰，但有以下规定：J、K和L中只有一个可以是O或S，且J或L中至少有一个必须是N、NR⁹、O或S以形成融合的五元杂环；J和K之间的键或K和L之间的键也可以形成与融合的五元杂环融合的苯环的一侧；Q为芳基；Q¹、A¹和A²分别独立地为H、烷基、取代烷基、苯基或取代苯基；G³为R¹¹、-C(O)OR¹¹、-C(O)NR¹¹R¹²、5-四唑基、-C(O)N(R¹³)OR¹¹、-C(O)NHSO₂R¹⁴或-CH₂OR¹¹；G⁴附着在1、2、4或5位，并可选择地取代在环上的任何可用位置或位置，取代基为卤素、烷基或取代烷基（碳原子数为1至20）、烷氧基、芳基、芳基烷基、羟基、烷酰基、烷酰氧基、氨基、烷基氨基、二烷基氨基、烷酰氨基、硫醇基、烷基硫基、烷基硫酰基、磺酰胺基、硝基、氰基、羧基、氨基甲酰基、N-羟基氨基甲酰基、N-烷基氨基甲酰基、N-二烷基氨基甲酰基、烷氧基羰基、苯基、取代苯基或上述基团的组合；Y和Z分别独立为-CH₂-或-C(O)-；R¹-R¹⁴分别独立为H或烷基（碳原子数为1至20）；R⁷、R⁸和R¹⁴也可以是芳基或芳基烷基，R³、R⁹、R¹¹、R¹²和R¹³也可以是芳基烷基；m、n和p分别独立地为0或1至2的整数；q为0或1至4的整数；虚线表示可选的双键。
• NOVEL SALTS, POLYMORPHS, AND SYNTHETIC PROCESSES REGARDING IMIDAZOLE DERIVATIVE
  申请人：Partridge John Joseph

  公开号：US20110319461A1

  公开（公告）日：2011-12-29

  The present invention relates to a process for producing 2-[1-(S)-carboxy-2(S)-[3-(3,5-dichloro-benzyl)-3H-imidazol-4-yl]-ethylamino]-4-methyl-pentanoic acid, as well as novel salts, including hydrates and solvates thereof, and novel crystalline and amorphous forms thereof.

  本发明涉及一种生产2-[1-(S)-羧基-2(S)-[3-(3,5-二氯苄基)-3H-咪唑-4-基]-乙基氨基]-4-甲基-戊酸的方法，以及其新型盐，包括水合物和溶剂化合物，以及其新型晶体和非晶形式。
• Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them
  申请人：Merck & Co., Inc.

  公开号：EP0012401A1

  公开（公告）日：1980-06-25

  Carboxyalkyl dipeptide derivatives and related compounds which are useful as antihypertensives, and having the formulae: wherein R and R6 are the same or different and are hydroxy, alkoxy, alkenoxy, dialkylamino alkoxy, acylamino alkoxy, acyloxy alkoxy, aryloxy, alkyloxy, substituted aryloxy or substituted aralkoxy wherein the substituent is methyl, halo, or niethoxy, amino, alkylamino, dialkylamino, aralkylamino or hydroxyamino; R1 is hydrogen, alkyl of from 1 to 20 carbon atoms, including branched, cyclic and unsaturated alkyl groups; substituted alkyl wherein the substituent is halo, hydroxy, alkoxy, aryloxy amino, alkylamino, dialkylamino, acylamino, arylamino, guanidino, imidazolyl, indolyl, mercapto, alkylthio, arylthio, carboxy, carboxamido, carbalkoxy, phenyl, substituted phenyl wherein the substituent is alkyl, alkoxy or halo; aralkyl or heteroaralkyl, aralkenyl or heteroaralkenyl, substituted aralkyl, substituted heteroaralkyl, substituted aralkenyl or substituted hetereoaralkenyl, wherein the substituent is halo or dihalo, alkyl, hydroxy, alkoxy, amino, aminomethyl, acylamino, dialkylamino, alkylamino, carboxyl, haloalkyl, cyano or sulfonamido, aralkyl or hetereoaralkyl substituted on the alkyl portion by amino or acylamino; R2 and R7 are hydrogen or alkyl; R3 is hydrogen, alkyl, phenylalkyl, aminomethylphenyl- alkyl, hydroxyphenylalkyl, hydroxyalkyl, acetylaminoalkyl, acylaminoalkyl, acylaminoalkyl aminoalkyl, dimethyl- aminoalkyl, haloalkyl, guanidinoalkyl, imidazolylalkyl, indolylalkyl, mercaptoalkyl and aikylthioalkyl; R4 is hydrogen or alkyl; R5 is hydrogen, alkyl, phenyl, phenylalkyl, hydroxyphenylalkyl, hydroxyalkyl, aminoalkyl, guanidinoalkyl, imidazolylalkyl, indolylalkyl, mercaptoalkyl or alkylthioalkyl; R and R5 may be connected together to form an alkylene bridge of from 2 to 4 carbon atoms, an alkylene bridge of from 2 to 3 carbon atoms and one sulphur atom, an alkylene bridge of from 3 to 4 carbon atoms containing a double bond or an alkylene bridge as above, substituted with hydroxy, alkoxy or alkyl and the pharmaceutically acceptable salts thereof.

  可用作抗高血压药的羧烷基二肽衍生物及相关化合物，其式如下 其中 R 和 R6 相同或不同，并且是羟基、烷氧基、烯氧基、二烷基氨基烷氧基、酰氨基烷氧基、酰氧基烷氧基、芳氧基、烷氧基、取代的芳氧基或取代的烷氧基，其中取代基是甲基、卤代或二乙氧基、氨基、烷基氨基、二烷基氨基、芳基氨基或羟基氨基； R1 是氢、1 至 20 个碳原子的烷基，包括支链、环状和不饱和烷基； 取代基为卤素、羟基、烷氧基、芳氧基氨基、烷基氨基、二烷基氨基、酰基氨基、芳基氨基、胍基、咪唑基、吲哚基、巯基、烷硫基、芳硫基、羧基、羧酰胺基、羰基烷氧基、苯基、取代基为烷基、烷氧基或卤素的取代苯基；芳烷基或杂烷基、芳烯基或杂芳烯基、取代的芳烷基、取代的杂烷基、取代的芳烯基或取代的对位芳烯基，其中取代基为卤代或二卤代、烷基、羟基、烷氧基、氨基、氨甲基、酰氨基、二烷基氨基、烷基氨基、羧基、卤代烷基、氰基或磺酰氨基，烷基部分被氨基或酰氨基取代的芳烷基或对位芳烷基； R2 和 R7 是氢或烷基； R3 是氢、烷基、苯基烷基、氨甲基苯基烷基、羟基苯基烷基、羟基烷基、乙酰氨基烷基、酰氨基烷基、酰氨基烷基氨基烷基、二甲基氨基烷基、卤代烷基、胍基烷基、咪唑基烷基、吲哚基烷基、巯基烷基和烷硫基烷基； R4 是氢或烷基 R5 是氢、烷基、苯基、苯基烷基、羟苯基烷基、羟基烷基、氨基烷基、胍基烷基、咪唑基烷基、吲哚基烷基、巯基烷基或硫代烷基； R 和 R5 可连接在一起，形成 2 至 4 个碳原子的亚烷基桥、2 至 3 个碳原子和一个硫原子的亚烷基桥、含有双键的 3 至 4 个碳原子的亚烷基桥或被羟基、烷氧基或烷基取代的上述亚烷基桥及其药学上可接受的盐。
• Peptides with collagenase inhibiting activity
  申请人：BEECHAM GROUP PLC

  公开号：EP0320118A2

  公开（公告）日：1989-06-14

  Novel compounds of the formula (I), a process for their preparation and their use as collagenase inhibitors are described: in which R₁ is hydrogen or hydroxy; R₂ is hydrogen or alkyl; R₃ is C₃₋₆ alkyl; R₄ is hydrogen, alkyl, -CH₂-Z where Z is optionally substituted phenyl or heteroaryl, or R₄ is a group where R₈ is hydrogen, alkyl or -CH₂-Ph where Ph is optionally substituted phenyl, and R₉ is hydrogen or alkyl; and R₅ is hydrogen or alkyl.

  本发明描述了式 (I) 的新型化合物、其制备方法及其作为胶原酶抑制剂的用途： 其中 R₁ 是氢或羟基；R₂ 是氢或烷基；R₃ 是 C₃₋₆ 烷基； R₄ 是氢、烷基、-CH₂-Z（其中 Z 是任选取代的苯基或杂芳基），或 R₄ 是一个基团，其中 R₈ 是氢、烷基或 -CH₂-Ph（其中 Ph 是任选取代的苯基），且 R₉ 是氢或烷基；以及 R₅ 是氢或烷基。
• Non-peptide renin inhibitors
  申请人：ABBOTT LABORATORIES

  公开号：EP0364804A1

  公开（公告）日：1990-04-25

  A renin inhibiting compound of the formula: wherein A is a substituent; R1 is hydrogen, loweralkyl, substituted loweralkyl or loweralkenyl; X is CH2, CHOH, C(O), O, S, S(O), S02, NH, N(O) or -P(O)O-; R3 is loweralkyl, loweralkenyl or substituted loweralkyl; and T is mimic of the Leu-Val cleavage site of angiotensinogen; or a pharmaceutically acceptable salt, ester or prodrug thereof.

  式中的肾素抑制化合物： 其中 A 是取代基；R1 是氢、低级烷基、取代的低级烷基或低级烯基；X 是 CH2、CHOH、C(O)、O、S、S(O)、S02、NH、N(O)或-P(O)O-；R3 是低级烷基、低级烯基或取代的低级烷基；T 是血管紧张素原的 Leu-Val 裂解位点的模拟物；或其药学上可接受的盐、酯或原药。