D-N-CBZ-3-N-BOC-氨基丙氨酸 | 62234-36-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: D-N-CBZ-3-N-BOC-氨基丙氨酸
• 英文名称: (R)-2-(((Benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acid
• 英文别名: (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
• CAS: 62234-36-0
• 化学式: C₁₆H₂₂N₂O₆
• 分子量: 338.36
• InChiKey: WJKGPJRAGHSOLM-GFCCVEGCSA-N

物化性质

• 熔点：
  139-140 °C
• 沸点：
  548.7±50.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  D-N-CBZ-3-N-BOC-氨基丙氨酸 生成 methyl L-3-<(benzyloxycarbonyl)amino>-4-<(tert-butoxycarbonyl)amino>butyrate
  参考文献：
  名称：

  SHINAGAWA, SUSUMU;KANAMARU, TSUNEO;HARADA, SETSUO

  摘要：

  DOI：
• 作为产物：
  描述：

  N(α)-Z-D-2,3-二氨基丙酸 生成 D-N-CBZ-3-N-BOC-氨基丙氨酸
  参考文献：
  名称：

  SHINAGAWA, SUSUMU;KANAMARU, TSUNEO;HARADA, SETSUO

  摘要：

  DOI：

文献信息

• N-(4-aryloxypiperidin-1-ylalkyl) cinnamic amides as ccr33 receptor antagonists
  申请人：——

  公开号：US20040087621A1

  公开（公告）日：2004-05-06

  Compounds of formula (I) in free or salt form, where Ar 1 is phenyl substituted by one or more substituents selected from halogen, cyano, nitro, and C 1 -C 8 -alkyl optionally substituted by cyano or halogen, Ar 2 is phenyl optionally which is unsubstituted or substituted by one or more substituents selected from halogen, cyano, hydroxy, nitro, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 1 -C 8 -alkoxy or C 1 -C 8 -alkoxycarbonyl, R 1 is C 1 -C 8 -alkyl substituted by hydroxy, C 1 -C 8 -alkoxy, acyloxy, —N(R 2 )R 3 , halogen, carboxy, C 1 -C 8 -alkoxycarbonyl, phenyl-C 1 -C 8 -alkoxycarbonyl, -CON(R 4 )R 5 or by a monovalent cyclic organic group, R 2 and R?3 are each independently hydrogen or C 1 -C 8 -alkyl, or R 2 is hydrogen and R 3 is acyl or SO 2 R 6 , or R 2 and R 3 together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclic group, R 4 and R 5 are each independently hydrogen, C 1 -C 8 -alkyl optionally substituted by hydroxy or phenyl, or phenyl optionally substituted by C 1 -C 8 -alkyl, halogen, cyano or C 1 -C 8 -alkoxy, or R 4 and R 5 together with the nitrogen atom to which they are attached denote a 5- or 6-membered heterocyclic group, R?6 is C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, or phenyl optionally substituted by C 1 -C 8 -alkyl, and n is 1, 2, 3 or 4. The compounds are useful as pharmaceuticals.

  式（I）的化合物，其自由或盐形式，其中Ar1为苯基，取代基选自卤素，氰基，硝基和C1-C8烷基，所述C1-C8烷基可以选择取代氰基或卤素；Ar2为苯基，可以选择不取代或取代基选自卤素，氰基，羟基，硝基，C1-C8烷基，C1-C8卤代烷基，C1-C8烷氧基或C1-C8烷氧羰基；R1为C1-C8烷基，取代基选自羟基，C1-C8烷氧基，酰氧基，-N（R2）R3，卤素，羧基，C1-C8烷氧羰基，苯基-C1-C8烷氧羰基，-CON（R4）R5或单价环状有机基团；R2和R3各自独立地为氢或C1-C8烷基，或R2为氢，R3为酰基或SO2R6，或R2和R3与它们所连接的氮原子一起表示5-或6-成员杂环基团；R4和R5各自独立地为氢，C1-C8烷基，可以选择取代羟基或苯基，或苯基，可以选择取代C1-C8烷基，卤素，氰基或C1-C8烷氧基，或R4和R5与它们所连接的氮原子一起表示5-或6-成员杂环基团；R6为C1-C8烷基，C1-C8卤代烷基或苯基，可以选择取代C1-C8烷基；n为1、2、3或4。该化合物可用于制药。
• Compounds, compositions and methods for prevention and treatment of inflammatory and immunoregulatory disorders and diseases
  申请人：Fu Zice

  公开号：US20060069099A1

  公开（公告）日：2006-03-30

  Compounds are provided having the formula: wherein variables R a , R 1 , R 2 , R 3 , R 4 , A 1 , A 4 , L, Q, X and subscript n as described herein. The subject compounds are useful for treatment of inflammatory and immune conditions and diseases. Compositions and methods of treatment using the subject compounds are also provided. For example, the subject methods are useful for treatment of inflammatory and immune disorders and disease such as multiple sclerosis, rheumatoid arthritis, psoriasis, and inflammatory bowel disease.

  提供具有以下公式的化合物：其中变量Ra，R1，R2，R3，R4，A1，A4，L，Q，X和下标n如此描述。这些化合物可用于治疗炎症和免疫性疾病。还提供使用这些化合物的组合物和治疗方法。例如，这些方法可用于治疗多发性硬化症、类风湿性关节炎、银屑病和炎症性肠病等炎症和免疫性疾病的治疗。
• Novel ethylenediamine derivatives
  申请人：Nakamoto Yumi

  公开号：US20070129371A1

  公开（公告）日：2007-06-07

  A compound represented by the following formula (1): Q 1 —Q 2 —T o —N(R 1 )—Q 3 —N(R 2 )—T 1 —Q 4 ( 1 ) [wherein, R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may have a substituent, or the like; Q 2 is a single bond or the like; Q 3 represents the following group: —C(R 3a )(R 4a )—C(R 3b )(R 4b )}m 1 —C(R 3c )(R 4c )}m 2 —C(R 3d )(R 4d )}m 3 —C(R 3e )(R 4e )}m 4 —C (R 3f )(R 4f )— (in which, R 3a to R 4e represent hydrogen or the like); T 0 represents a carbonyl group or the like; and T 1 represents —COCONR— or the like]; or salt thereof, solvate thereof, or N-oxide thereof. The compound is useful as a preventive and/or therapeutic agent for cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  以下化合物公式（1）表示的化合物：Q1-Q2-To-N（R1）-Q3-N（R2）-T1-Q4（1）[其中，R1和R2是氢原子或类似物；Q1是饱和或不饱和的5或6元环烃基，可以具有取代基或类似物；Q2是单键或类似物；Q3表示以下基团：-C（R3a）（R4a）-C（R3b）（R4b）}m1-C（R3c）（R4c）}m2-C（R3d）（R4d）}m3-C（R3e）（R4e）}m4-C（R3f）（R4f）-（其中，R3a到R4e代表氢或类似物）；T0表示羰基基团或类似物；T1表示-COCONR-或类似物]；或其盐，溶剂化合物或N-氧化物。该化合物可用作预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥漫性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成或采血时的血液凝固。
• Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension
  申请人：Kuroita Takanobu

  公开号：US20100121048A1

  公开（公告）日：2010-05-13

  The present invention relates to a compound represented by the formula: (I) wherein ring A is a 5- or 6-membered aromatic heterocycle optionally having substituent (s); U, V and W are each independently C or N, provided that when any one of U, V and W is N, then the others should be C; Ra and Rb are each independently a cyclic group optionally having substituent(s), a C 1-10 alkyl group optionally having substituent(s), a C 2-10 alkenyl group optionally having substituent(s), or a C 2-10 alkynyl group optionally having substituent(s); X is a bond, or a spacer having 1 to 6 atoms in the main chain; Y is a spacer having 1 to 6 atoms in the main chain; Rc is a hydrocarbon group optionally containing heteroatom(s) as the constituting atom(s), which optionally has substituent(s); m and n are each independently 1 or 2; and ring B optionally further has substituent(s), or a salt thereof. The compound of the present invention has excellent renin inhibitory activity, and thus is useful as an agent for the prophylaxis or treatment of hypertension, various organ damages attributable to hypertension, and the like.

  本发明涉及一种由式(I)表示的化合物：其中，环A是一种5或6成员的芳香杂环，可选地具有取代基；U、V和W分别独立地为C或N，但当U、V和W中的任何一个为N时，其他的应为C；Ra和Rb分别独立地为一个环状基团，可选地具有取代基；一个C1-10烷基，可选地具有取代基；一个C2-10烯基，可选地具有取代基；或一个C2-10炔基，可选地具有取代基；X是一条键或具有1到6个原子的主链间隔；Y是具有1到6个原子的主链间隔；Rc是一个含有杂原子作为构成原子的碳氢基团，可选地具有取代基；m和n分别独立地为1或2；环B可选地具有取代基，或其盐。本发明的化合物具有优异的肾素抑制活性，因此可用作预防或治疗高血压、高血压引起的各种器官损伤等的药物。
• [EN] PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR<br/>[FR] PROMÉDICAMENTS DE DÉRIVÉS D'ACIDE 3-BENZOAMIDO-2-AMINOPROPIONIQUE UTILISÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR NMDA
  申请人：H LUNDBECK AS

  公开号：WO2022129041A1

  公开（公告）日：2022-06-23

  The present invention is directed to novel prodrugs of modulators of the NMDA receptor. Separate aspects of the inventions are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat neurological disorders or neuropsychiatric disorders such as depression.

  本发明涉及NMDA受体调节剂的新型前药。该发明的不同方面涉及包含所述化合物的制药组合物以及使用该化合物治疗神经系统疾病或神经精神疾病，例如抑郁症的用途。