DL-3-chlorophenylglycine nitrile hydrochloride | 49704-72-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: DL-3-chlorophenylglycine nitrile hydrochloride
• 英文别名: α-amino-(3-chlorophenyl)acetonitrile hydrochloride；2-amino-2-(3-chlorophenyl)acetonitrile hydrochloride；Amino-(3-chloro-phenyl)-acetonitrile-hydrochloride；(R,S)-Amino-(3-chloro-phenyl)-acetonitrile-hydrochloride；[(3-Chlorophenyl)-cyanomethyl]azanium;chloride
• CAS: 49704-72-5
• 化学式: C₈H₇ClN₂*ClH
• mdl: MFCD11099662
• 分子量: 203.071
• InChiKey: GLYABMSRUGXBPF-UHFFFAOYSA-N

物化性质

• 熔点：
  175-176 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  51.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  DL-3-chlorophenylglycine nitrile hydrochloride 在 氨 、 sulfur 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 异丙醇 为溶剂， 反应 40.5h， 生成 5-amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [4-(3-chloro-phenyl)-2-methylthiazol-5-yl]-amide
  参考文献：
  名称：

  Discovery of Potent and Selective Pyrazolopyrimidine Janus Kinase 2 Inhibitors

  摘要：

  The discovery of somatic Jak2 mutations in patients with chronic myeloproliferative neoplasms has led to significant interest in disc-ova-ring selective Jak2 inhibitors for use in treating these disorders. A high-throughput screening effort identified the pyrazolo[1,5-a]pyrimidine scaffold as a potent inhibit-or of Jak2. Optimization of lead compounds 7a-b and 8 in this chemical series for activity against Jak2, selectivity against other Jak family kinases, and good in vivo pharmacokinetic properties led to the discovery of 7j. In a SET2 xenograft model that is dependent on Jak2 for growth, 7j demonstrated a time-dependent knock-down of pSTAT5, a downstream target of Jak2.

  DOI：

  10.1021/jm3012239
• 作为产物：
  描述：

  2-(3-chlorophenyl)-2-((trimethylsilyl)oxy)acetonitrile 在 氨 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 DL-3-chlorophenylglycine nitrile hydrochloride
  参考文献：
  名称：

  Facile synthesis of α-aminonitriles

  摘要：

  DOI：

  10.1016/s0040-4039(01)91205-5

文献信息

• Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes
  作者：RahulKumar Rajmani Singh、Samir Kundlik Pawar、Min-Jie Huang、Rai-Shung Liu

  DOI：10.1039/c6cc04308a

  日期：——

  Abstract: Gold-catalyzed [3+2]-annulations of [small alpha]-aryl diazonitriles with ynamides and allenamides yield 1-amino-1H-indenes in two distinct pathways; the success of these annulations relies on the high electrophilicity of [small alpha]-cyano arylgold carbenes...

  摘要：金催化的[小α]-芳基重氮腈的[3 + 2]-环化与炔酰胺和烯丙酰胺在两种不同的途径中产生1-氨基-1H-茚。这些环空的成功取决于[小α]-氰基芳基金碳烯的高亲电性...
• Nitrile derivatives that inhibit cathepsin K
  申请人：——

  公开号：US20010008901A1

  公开（公告）日：2001-07-19

  Compounds of the formula: 1 wherein R 1 to R 7 and Y are as defined in the specification, and pharmaceutically acceptable salts and/or pharmaceutically acceptable esters thereof, are useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis, atherosclerosis, myocardial infarction, angina pectoris, instable angina pectoris, stroke, plaque rupture, transient ischemic attacks, amaurosis fugax, peripheral arterial occlusive disease, restenosis after angioplasty and stent placement, abdominal aortic aneurysm formation, inflammation, autoimmune disease, malaria, ocular fundus tissue cytopathy and respiratory disease.

  该公式化合物：其中R1到R7和Y如规范中定义，并且其药用盐和/或药用酯是用于治疗与半胱氨酸蛋白酶相关的疾病，如骨质疏松症、骨关节炎、类风湿性关节炎、肿瘤转移、肾小球肾炎、动脉粥样硬化、心肌梗死、心绞痛、不稳定性心绞痛、中风、斑块破裂、短暂性缺血性发作、瞬间性视网膜动脉阻塞、外周动脉闭塞性疾病、血管成形术和支架植入术后再狭窄、腹主动脉瘤形成、炎症、自身免疫疾病、疟疾、眼底组织细胞病变和呼吸道疾病的有用化合物。
• Amides and method for plant diseases control with the same
  申请人：Sakaguchi Hiroshi

  公开号：US20060122064A1

  公开（公告）日：2006-06-08

  N-(α-cyanobenzyl)amide compounds represented by the formula (1): wherein R 1 represents a hydrogen atom; a halogen atom; a C1-C6 alkyl group optionally substituted with a halogen atom or the like; or the like, R 2 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group or the like, R 3 represents a hydrogen atom or the like, R 4 represents a C1-C4 alkyl group, a C3-C4 alkenyl group or the like, R 5 represents a C1-C4 alkyl group, a C3-C4 alkenyl group, or the like, R 6 represents a hydrogen atom or the like, R 7 represents a hydrogen atom or the like, R 8 represents a hydrogen atom or the like, R 9 represents a hydrogen atom or the like, R 10 represents a hydrogen atom or the like, R 11 represents a hydrogen atom or the like, and R 12 represents a hydrogen atom or the like, have excellent control activities against plant diseases.

  化合物N-(α-氰基苯甲基)酰胺，其化学式为(1)，其中R1代表氢原子；卤素原子；C1-C6烷基，可选择性地被卤素原子或类似物取代；或类似物，R2代表氢原子，卤素原子，C1-C6烷基或类似物，R3代表氢原子或类似物，R4代表C1-C4烷基，C3-C4烯基或类似物，R5代表C1-C4烷基，C3-C4烯基或类似物，R6代表氢原子或类似物，R7代表氢原子或类似物，R8代表氢原子或类似物，R9代表氢原子或类似物，R10代表氢原子或类似物，R11代表氢原子或类似物，R12代表氢原子或类似物，具有优异的植物病害控制活性。
• AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1640360A1

  公开（公告）日：2006-03-29

  N-(α-cyanobenzyl)amide compounds represented by the formula (1): wherein R1 represents a hydrogen atom; a halogen atom; a C1-C6 alkyl group optionally substituted with a halogen atom or the like; or the like, R2 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group or the like, R3 represents a hydrogen atom or the like, R4 represents a C1-C4 alkyl group, a C3-C4 alkenyl group or the like, R5 represents a C1-C4 alkyl group, a C3-C4 alkenyl group, or the like, R6 represents a hydrogen atom or the like, R7 represents a hydrogen atom or the like, R8 represents a hydrogen atom or the like, R9 represents a hydrogen atom or the like, R10 represents a hydrogen atom or the like, R11 represents a hydrogen atom or the like, and R12 represents a hydrogen atom or the like, have excellent control activities against plant diseases.

  式 (1) 所代表的 N-(α-氰基苄基)酰胺化合物： 其中 R1 代表氢原子；卤素原子；任选被卤素原子或类似物取代的 C1-C6 烷基；或类似物； R2 代表氢原子、卤素原子、C1-C6 烷基或类似物； R3 代表氢原子或类似物； R4 代表 C1-C4 烷基、C3-C4 烯基或类似物； R5 代表 C1-C4 烷基、C3-C4 烯基或类似物； R6 代表氢原子或类似物、R7 代表氢原子或类似物，R8 代表氢原子或类似物，R9 代表氢原子或类似物，R10 代表氢原子或类似物，R11 代表氢原子或类似物，R12 代表氢原子或类似物。
• LEE, YOUNG BOK;GOO, YANG MO;LEE, YOUN YOUNG;LEE, JAE KEUN, TETRAHEDRON LETT., 31,(1990) N, C. 1169-1170
  作者：LEE, YOUNG BOK、GOO, YANG MO、LEE, YOUN YOUNG、LEE, JAE KEUN

  DOI：——

  日期：——