3-(3,5-二甲基-1H-吡唑-1-基)丙胺 | 62821-89-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(3,5-二甲基-1H-吡唑-1-基)丙胺
• 中文别名: 3-(3,5-二甲基吡唑-1-基)丙胺
• 英文名称: 3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
• 英文别名: 3,5-Dimethyl-1-(3-aminopropyl)-pyrazol；1-(3-Aminopropyl)-3,5-dimethylpyrazol；3-(3,5-dimethyl-pyrazol-1-yl)-propylamine；3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
• CAS: 62821-89-0
• 化学式: C₈H₁₅N₃
• mdl: MFCD00462177
• 分子量: 153.227
• InChiKey: AFJVVHQSOQPLOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  3-(3,5-二甲基-1H-吡唑-1-基)丙胺 、 苯甲酰氯 生成 N-[3-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-benzamide
  参考文献：
  名称：

  FERRONI, R.;MILANI, L.;SIMONI, D.;ORLANDINI, P.;BOTTURA, M.;BARDI, A.;GUA+, ARZNEIM.-FORSCH. , 40,(1990) N, C. 705-709

  摘要：

  DOI：
• 作为产物：
  描述：

  2-[3-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-isoindole-1,3-dione 、 肼 生成 3-(3,5-二甲基-1H-吡唑-1-基)丙胺
  参考文献：
  名称：

  FERRONI, R.;MILANI, L.;SIMONI, D.;ORLANDINI, P.;BOTTURA, M.;BARDI, A.;GUA+, ARZNEIM.-FORSCH. , 40,(1990) N, C. 705-709

  摘要：

  DOI：

文献信息

• [EN] MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS<br/>[FR] INHIBITEURS DE MTH1 DESTINÉS AU TRAITEMENT DES ÉTATS INFLAMMATOIRES ET AUTO-IMMUNS
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2015187089A1

  公开（公告）日：2015-12-10

  A compound of formula (I), or a pharmaceutically acceptable salt thereof, for use in the treatment of autoimmune diseases and inflammatory conditions.

  化合物的化学式（I），或其药学上可接受的盐，用于治疗自身免疫性疾病和炎症性疾病。
• [EN] PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRIMIDINE-2,4-DIAMINE UTILISABLES EN VUE DU TRAITEMENT DU CANCER
  申请人：THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING

  公开号：WO2014084778A1

  公开（公告）日：2014-06-05

  A compound of formula (I), or a pharmaceutically-acceptable salt thereof. The compound is useful in the treatment of cancer or other diseases that may benefit from inhibition of MTH1.

  公式(I)的化合物，或其药用可接受的盐。该化合物可用于治疗癌症或其他可能从抑制MTH1中受益的疾病。
• Chemical compounds
  申请人：——

  公开号：US20030225094A1

  公开（公告）日：2003-12-04

  Compounds of the general structural formula (I) and use of the compounds and salts and solvates thereof, as therapeutic agents. 1

  通用结构式（I）的化合物及其盐和溶剂合物的用途，作为治疗剂。
• [EN] SUBSTITUTED 1,6-NAPHTHYRIDINES<br/>[FR] 1,6-NAPHTYRIDINES SUBSTITUÉES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014079787A1

  公开（公告）日：2014-05-30

  The present invention relates to the use of compounds of general formula (I) wherein R' is hydrogen or lower alkyl; R1 is halogen, lower alkyl, cycloalkyl or cyano; or is phenyl, optionally substituted by one to three substituents, selected from lower alkyl, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, halogen, cyano, hydroxy, C(O)-NH-lower alkyl, CH2-C(O)-NH-lower alkyl, CH2-NH-C(O)-lower alkyl, CH2NH2, S(O)2CH3, S(O)2N(CH3)2, or by heterocycloalkyl groups; or is pyrazol-1, 4 or 5-yl, optionally substituted by lower alkyl; or is thiazol-5-yl, optionally substituted by one or two lower alkyl groups; or is pyridine 2, 3 or 4-yl, optionally substituted by lower alkyl, lower alkoxy, halogen or N(CH3)2; or is 3,6-dihydro-2H-pyran; or is benzo[d][1,3]dioxol-5-yl; or is 2,3-dihydrobenzo[b][1,4]dioxin-6-yl; R2 is hydrogen, lower alkyl or lower alkyl substituted by alkoxy; R3 is hydrogen, lower alkyl, lower alkyl substituted by halogen, lower alkyl substituted by hydroxy, NH-S(O)2-CH3, -(CH2)m-O-lower alkyl or -(CH2)n-S(O)2-CH3; or is -(CR2)n-phenyl, optionally substituted by -S(O)2CH3 or lower alkoxy; or is -(CH2)n-heterocycloalkyl, optionally substituted by lower alkyl and =O; or is -(CH2)n-heteroaryl, optionally substituted by one or two lower alkyl groups; or is -(CH2)n-cycloalkyl, optionally substituted by cyano; or R2 and R3 form together with the N atom to which they are attached a heterocyclic ring, selected from morpholine, piperidine, 1, 1-dioxo-thiomorpholine or piperazine which may be substituted by lower alkyl or C(O)O-lower alkyl, or may form a pyrrolidine ring, optionally substituted by hydroxy; R is independently from n hydrogen or lower alkyl; n is 0, 1, 2, 3; m is 2; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture or to its corresponding enantiomer and/or optical isomers thereof, for the treatment of schizophrenia, obsessive-compulsive personality disorder, depression, bipolar disorders, anxiety disorders, normal aging, epilepsy, retinal degeneration, traumatic brain injury, spinal cord injury, post-traumatic stress disorder, panic disorder, Parkinson's disease, dementia, Alzheimer's disease, mild cognitive impairment, chemotherapy-induced cognitive dysfunction ("chemobrain"), Down syndrome, autism spectrum disorders, hearing loss, tinnitus, spinocerebellar ataxia, amyotrophic lateral sclerosis, multiple sclerosis, Huntington's disease, stroke, and disturbances due to radiation therapy, chronic stress, optic neuropathy or macular degeneration, or abuse of neuro-active drugs selected from alcohol, opiates, methamphetamine, phencyclidine or cocaine.

  本发明涉及使用一般式（I）的化合物，其中R'是氢或较低的烷基；R1是卤素、较低的烷基、环烷基或氰基；或者是苯基，可选择地被一个到三个取代基取代，所述取代基选自较低的烷基、被卤素取代的较低烷基、较低的烷氧基、被卤素取代的较低烷氧基、卤素、氰基、羟基、C(O)-NH-较低烷基、CH2-C(O)-NH-较低烷基、CH2-NH-C(O)-较低烷基、CH2NH2、S(O)2CH3、S(O)2N(CH3)2，或者是由杂环烷基组成的基团；或者是吡唑-1、4或5-基，可选择地被较低烷基取代；或者是噻唑-5-基，可选择地被一个或两个较低烷基基团取代；或者是吡啶-2、3或4-基，可选择地被较低烷基、较低烷氧基、卤素或N(CH3)2取代；或者是3,6-二氢-2H-吡喃；或者是苯并[d][1,3]二噁嗪-5-基；或者是2,3-二氢苯并[b][1,4]二噁烷-6-基；R2是氢、较低烷基或被烷氧基取代的较低烷基；R3是氢、较低烷基、被卤素取代的较低烷基、被羟基取代的较低烷基、NH-S(O)2-CH3、-(CH2)m-O-较低烷基或-(CH2)n-S(O)2-CH3；或者是-(CR2)n-苯基，可选择地被-S(O)2CH3或较低烷氧基取代；或者是-(CH2)n-杂环烷基，可选择地被较低烷基和=O取代；或者是-(CH2)n-杂芳基，可选择地被一个或两个较低烷基基团取代；或者是-(CH2)n-环烷基，可选择地被氰基取代；或者R2和R3与它们连接的N原子一起形成一个杂环环，所述杂环环选自吗啉、哌啶、1,1-二氧代-硫代吗啉或哌嗪，可被较低烷基或C(O)O-较低烷基取代，或者可形成一个吡咯烷环，可选择地被羟基取代；R独立于n是氢或较低烷基；n为0、1、2、3；m为2；或者是药学上可接受的酸盐，或者是外消旋混合物，或者是其对应的对映体和/或光学异构体，用于治疗精神分裂症、强迫性人格障碍、抑郁症、躁郁症、焦虑症、正常衰老、癫痫、视网膜退化、创伤性脑损伤、脊髓损伤、创伤后应激障碍、恐慌障碍、帕金森病、痴呆症、阿尔茨海默病、轻度认知障碍、化疗诱导的认知功能障碍（“化疗脑”）、唐氏综合征、自闭症谱系障碍、听力丧失、耳鸣、脊髓小脑共济失调、肌萎缩侧索硬化、多发性硬化症、亨廷顿病、中风，以及由放射治疗、慢性应激、视神经病变或黄斑变性引起的干扰，或者由酒精、阿片类药物、甲基苯丙胺、芬太尼或可卡因等神经活性药物的滥用引起的干扰。
• SUBSTITUTED 1,6-NAPHTHYRIDINES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150252044A1

  公开（公告）日：2015-09-10

  The present invention relates to the use of compounds of general formula wherein R′ is hydrogen or lower alkyl; R 1 is halogen, lower alkyl, cycloalkyl or cyano; or is phenyl, optionally substituted by one to three substituents, selected from lower alkyl, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, halogen, cyano, hydroxy, C(O)—NH-lower alkyl, CH 2 —C(O)—NH-lower alkyl, CH 2 —NH—C(O)-lower alkyl, CH 2 NH 2 , S(O) 2 CH 3 , S(O) 2 N(CH 3 ) 2 , or by heterocycloalkyl groups; or is pyrazol-1, 4 or 5-yl, optionally substituted by lower alkyl; or is thiazol-5-yl, optionally substituted by one or two lower alkyl groups; or is pyridine 2, 3 or 4-yl, optionally substituted by lower alkyl, lower alkoxy, halogen or N(CH 3 ) 2 ; or is 3,6-dihydro-2H-pyran; or is benzo[d][1,3]dioxol-5-yl; or is 2,3-dihydrobenzo[b][1,4]dioxin-6-yl; R 2 is hydrogen, lower alkyl or lower alkyl substituted by alkoxy; R 3 is hydrogen, lower alkyl, lower alkyl substituted by halogen, lower alkyl substituted by hydroxy, NH—S(O) 2 —CH 3 , —(CH 2 ) m —O-lower alkyl or —(CH 2 ) n —S(O) 2 —CH 3 ; or is —(CR 2 ) n -phenyl, optionally substituted by —S(O) 2 CH 3 or lower alkoxy; or is —(CH 2 ) n -heterocycloalkyl, optionally substituted by lower alkyl and ═O; or is —(CH 2 ) n -heteroaryl, optionally substituted by one or two lower alkyl groups; or is —(CH 2 ) n -cycloalkyl, optionally substituted by cyano; or R 2 and R 3 form together with the N atom to which they are attached a heterocyclic ring, selected from morpholine, piperidine, 1,1-dioxo-thiomorpholine or piperazine which may be substituted by lower alkyl or C(O)O-lower alkyl, or may form a pyrrolidine ring, optionally substituted by hydroxy; R is independently from n hydrogen or lower alkyl; n is 0, 1, 2, 3; m is 2; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture or to its corresponding enantiomer and/or optical isomers thereof, for the treatment of schizophrenia, obsessive-compulsive personality disorder, depression, bipolar disorders, anxiety disorders, normal aging, epilepsy, retinal degeneration, traumatic brain injury, spinal cord injury, post-traumatic stress disorder, panic disorder, Parkinson's disease, dementia, Alzheimer's disease, mild cognitive impairment, chemotherapy-induced cognitive dysfunction (“chemobrain”), Down syndrome, autism spectrum disorders, hearing loss, tinnitus, spinocerebellar ataxia, amyotrophic lateral sclerosis, multiple sclerosis, Huntington's disease, stroke, and disturbances due to radiation therapy, chronic stress, optic neuropathy or macular degeneration, or abuse of neuro-active drugs selected from alcohol, opiates, methamphetamine, phencyclidine or cocaine.

  本发明涉及通式化合物的使用，其中R′为氢或低碳基；R1为卤素，低碳基，环烷基或氰基；或为苯基，可选地被一到三个取代基取代，所述取代基从低碳基，被卤素取代的低碳基，低碳氧基，被卤素取代的低碳氧基，卤素，氰基，羟基，C（O）-NH-低碳基，CH2-C（O）-NH-低碳基，CH2-NH-C（O）-低碳基，CH2NH2，S（O）2CH3，S（O）2N（CH3）2或杂环烷基组成；或为吡唑-1、4或5-基，可选地被低碳基取代；或为噻唑-5-基，可选地被一或两个低碳基取代；或为吡啶2、3或4-基，可选地被低碳基，低碳氧基，卤素或N（CH3）2取代；或为3,6-二氢-2H-吡喃基；或为苯并[d][1,3]二噁英-5-基；或为2,3-二氢苯并[b][1,4]二噁英-6-基；R2为氢，低碳基或被烷氧基取代的低碳基；R3为氢，低碳基，被卤素取代的低碳基，被羟基取代的低碳基，NH-S（O）2-CH3，（CH2）m-O-低碳基或（CH2）n-S（O）2-CH3；或为-（CR2）n-苯基，可选地被-S（O）2CH3或低碳氧基取代；或为-（CH2）n-杂环烷基，可选地被低碳基和═O取代；或为-（CH2）n-杂环芳基，可选地被一或两个低碳基取代；或为-（CH2）n-环烷基，可选地被氰基取代；或R2和R3与它们附着的N原子一起形成一个杂环环，所述杂环环从吗啉，哌啶，1,1-二氧-硫代吗啉或哌嗪中选择，所述杂环环可以被低碳基或C（O）O-低碳基取代，或可以形成一个吡咯烷环，可选地被羟基取代；R独立于n为氢或低碳基；n为0,1,2,3；m为2；或为其相应的对映异构体和/或光学异构体的药学上可接受的酸盐或外消旋体，用于治疗精神分裂症，强迫性人格障碍，抑郁症，双相情感障碍，焦虑症，正常衰老，癫痫，视网膜退化，创伤性脑损伤，脊髓损伤，创伤后应激障碍，恐慌症，帕金森病，痴呆，阿尔茨海默病，轻度认知障碍，化疗引起的认知功能障碍（“化疗脑”），唐氏综合症，自闭症谱系障碍，听力损失，耳鸣，脊髓小脑性共济失调，肌萎缩侧索硬化症，多发性硬化症，亨廷顿病，中风以及由放射治疗，慢性压力，视神经病变或黄斑变性，或滥用酒精，阿片类药物，甲基苯丙胺，苯环利定或可卡因等神经活性药物引起的干扰。