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N-甲基-N-炔丙基苯甲胺, 单胺氧化酶 B 抑制剂

5篇引用文献 COA COA
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货号 (SKU) 包装规格 是否现货 价格 数量
N159008-1g
 1g 现货 Stock Image
N159008-5g
 5g 现货 Stock Image
N159008-25g
 25g 现货 Stock Image
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Monoamine Oxidase (118) Monoamine oxidase B Inhibitor (7) 神经元信号传导 (3320)
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基本描述

别名 帕吉林 | 优降宁 | N-甲基-N-(2-丙炔-1-基)苯甲胺
英文别名 Pargyline (INN) | BSPBio_002159 | Pargylinum [INN-Latin] | Prestwick1_000183 | 9MV14S8G3E | CBChromo1_000308 | N-benzyl-N-methyl-prop-2-yn-1-amine | N-benzyl-N-methylprop-2-yn-1-amine | Pargyline [INN:BAN] | NCGC00015841-07 | Benzyl-methyl-2-propinylamin
规格或纯度 Moligand™, ≥98%(GC)
英文名称 N-Methyl-N-propargylbenzylamine
储存温度 充氩
运输条件 常规运输
作用类型 抑制剂
作用机制 单胺氧化酶 B 抑制剂
纯度 ≥98%(GC)

关联靶点（人）

MAOB Tclin 胺氧化酶[含黄素]B(Amine oxidase [flavin-containing] B) (29 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
MAOA Tclin 胺氧化酶[含黄素]A(Amine oxidase [flavin-containing] A) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
F2 Tclin Thrombin (11687 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALDH2 Tclin Aldehyde dehydrogenase (509 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

Pde4d Phosphodiesterase 4D (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Aldh1a7 Aldehyde dehydrogenase, cytosolic 1 (5 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Danio rerio (3092 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasma (328 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 488179849
分子类型 小分子
IIUPAC Name N-benzyl-N-methylprop-2-yn-1-amine
INCHI 1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChi Key DPWPWRLQFGFJFI-UHFFFAOYSA-N
Smiles CN(CC#C)CC1=CC=CC=C1
Isomeric SMILES CN(CC#C)CC1=CC=CC=C1
分子量 159.23
Reaxy-Rn 1938132
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1938132&ln=

化学和物理性质

密度 0.944
敏感性 对空气敏感
折光率 1.522
闪点(℉) 183.2 °F
闪点(℃) 84°C
沸点 86-88 °C/4 mmHg
分子量 159.230 g/mol
XLogP3 2.100
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 1
可旋转键计数Rotatable Bond Count 3
精确质量Exact Mass 159.105 Da
单同位素质量Monoisotopic Mass 159.105 Da
拓扑极表面积Topological Polar Surface Area 3.200 Ų
重原子数Heavy Atom Count 12
形式电荷Formal Charge 0
复杂度Complexity 159.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

象形图 GHS06,   GHS07
信号词 危险
危险声明

H301: 吞咽会中毒

H311: 皮肤接触有毒

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H331: 吸入会中毒

H335: 可能引起呼吸道刺激
预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P330: 漱口

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P361+P364: 立即脱掉所有沾染的衣服，清洗后方可重新使用。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P301+P316: 如果吞咽：立即寻求紧急医疗救助。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P316: 立即寻求紧急医疗救助。

P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany 3
RTECS DP6475000
Merck Index 7038
个人防护装备 Eyeshields， Faceshields， full-face respirator (US)， Gloves， multi-purpose combination respirator cartridge (US)， type ABEK (EN14387) respirator filter

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批号(Lot Number) 证书类型 货号
A2208172 分析证书 N159008
A2208173 分析证书 N159008
A2208208 分析证书 N159008
L2411189 分析证书 N159008
J1912055 分析证书 N159008
L2411188 分析证书 N159008

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引用文献

1. Vasilatos SN, Katz TA, Oesterreich S, Wan Y, Davidson NE, Huang Y.  (2013)  Crosstalk between lysine-specific demethylase 1 (LSD1) and histone deacetylases mediates antineoplastic efficacy of HDAC inhibitors in human breast cancer cells..  Carcinogenesis,  34  (6): (1196-207).  [PMID:23354309]
2. Wei Chen,Jia-Hui Tay,Xiao-Qi Yu,Lin Pu.  (2012-06-26)  Diastereoselective [4 + 1] cycloaddition of alkenyl propargyl acetates with CO catalyzed by [RhCl(CO)2]2..  The Journal of organic chemistry,  77  ((14)): (6215-6222).  [PMID:22725622]
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4. José Luis García Ruano,Leyre Marzo,Vanesa Marcos,Cuauhtémoc Alvarado,José Alemán.  (2012-08-01)  Highly stereoselective synthesis of tertiary propargylic centers and their isomerization to enantiomerically enriched allenes..  Chemistry (Weinheim an der Bergstrasse, Germany),  18  ((32)): (9775-9779).  [PMID:22847833]
5. Leleti Rajender Reddy.  (2012-08-09)  Chiral Brønsted acid catalyzed enantioselective allenylation of aldehydes..  Chemical communications (Cambridge, England),  48  ((73)): (9189-9191).  [PMID:22872133]
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11. René Csuk,Ronny Sczepek,Bianka Siewert,Christoph Nitsche.  (2012-12-19)  Cytotoxic betulin-derived hydroxypropargylamines trigger apoptosis..  Bioorganic & medicinal chemistry,  21  ((2)): (425-435).  [PMID:23245801]
12. Gangadhara R Sareddy,Binoj C Nair,Samaya K Krishnan,Vijay K Gonugunta,Quan-guang Zhang,Takayoshi Suzuki,Naoki Miyata,Andrew J Brenner,Darrell W Brann,Ratna K Vadlamudi.  (2012-12-19)  KDM1 is a novel therapeutic target for the treatment of gliomas..  Oncotarget,  4  ((1)): (18-28).  [PMID:23248157]
13. Avanashiappan Nandakumar,Paramasivan Thirumalai Perumal.  (2013-01-12)  Tetrasubstituted olefinic xanthene dyes: synthesis via Pd-catalyzed 6-exo-dig cyclization/C-H activation of 2-bromobenzyl-N-propargylamines and solid state fluorescence properties..  Organic letters,  15  ((2)): (382-385).  [PMID:23305124]
14. Ramani Gurubrahamam,Mariappan Periasamy.  (2013-01-17)  Copper(I) halide promoted diastereoselective synthesis of chiral propargylamines and chiral allenes using 2-dialkylaminomethylpyrrolidine, aldehydes, and 1-alkynes..  The Journal of organic chemistry,  78  ((4)): (1463-1470).  [PMID:23320792]
15. María González-Béjar,Kate Peters,Geniece L Hallett-Tapley,Michel Grenier,Juan C Scaiano.  (2013-01-24)  Rapid one-pot propargylamine synthesis by plasmon mediated catalysis with gold nanoparticles on ZnO under ambient conditions..  Chemical communications (Cambridge, England),  49  ((17)): (1732-1734).  [PMID:23340772]
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20. Sergiy Konovalov,Ivan Garcia-Bassets.  (2013-10-30)  Analysis of the levels of lysine-specific demethylase 1 (LSD1) mRNA in human ovarian tumors and the effects of chemical LSD1 inhibitors in ovarian cancer cell lines..  Journal of ovarian research,  6  ((1)): (75-75).  [PMID:24165091]
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22. Markéta Bláhová,Eva Bednářová,Michal Řezanka,Jindřich Jindřich.  (2012-12-05)  Complete sets of monosubstituted γ-cyclodextrins as precursors for further synthesis..  The Journal of organic chemistry,  78  ((2)): (697-701).  [PMID:23205761]
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