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伯氨喹 | 90-34-6

伯氨喹
Primaquine
90-34-6
C15H21N3O
259.346743345261
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:伯氨喹结构式
伯氨喹MSDS
4908
伯氨喹价格
简介
伯氨喹,主要用于根治间日疟和控制疟疾传播,常与氯喹或乙胺嘧啶合用。对红内期作用较弱,对恶性疟红内期则完全无效,不能作为控制症状的药物应用。对某些疟原虫的红前期也有影响,但因需用剂量较大,已接近极量,不够安全,故也不能作为病因预防药应用。
名称和标识符
MDL MFCD00598906
InChIKey INDBQLZJXZLFIT-UHFFFAOYSA-N
Inchi 1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
SMILES N1C2C(=CC(=CC=2NC(CCCN)C)OC)C=CC=1
别名信息
- 中文别名 -
  • 伯氨喹
  • N-(6-甲氧基喹啉-8-基)戊-1,4-二胺
  • 磷酸伯氨喹
  • 伯喹
- 英文别名 -
  • 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline
  • N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine
  • 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • Primaquine
  • Primaquine phosphate
  • [14C]-Primaquine
  • N'-(6-methoxy-8-quinolinyl)-1,4-pentanediamine
  • N4-(6-methoxy-8-quinolinyl)1,4-pentanediamine
  • Neo-Quipenyl
  • Primachin
  • Primachinum
  • Primaquin
  • Primaquina
  • Primaquinum
  • N(4)-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • C07627
  • BRD-A55913614-316-06-2
  • KBio3_001723
  • STL146416
  • 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-
  • SN 13,272
  • HMS2090J17
  • primaquin-
  • Maliride
  • NSC 27296
  • Neo-Quipenyl
  • Primachin
  • LS-141312
  • TG1-297
  • SPBio_002551
  • 4-amino-1-methylbutyl(6-methoxy-8-quinolyl)amine
  • EN300-144245
  • Primaquine (INN)
  • HSDB 6516
  • Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-(6CI,8CI)
  • KBio2_003878
  • 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate(1:2)
  • Primachina
  • cid_359247
  • N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • (-)-Primaquine
  • EINECS 201-987-2
  • WR-2975
  • Spectrum_000830
  • N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine (2 H3PO4)
  • N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • BRN 0019337
  • KBio2_001310
  • NCI60_005887
  • PRIMAQUINE [MI]
  • 57152-47-3
  • AKOS005721199
  • (-)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
  • DTXSID8023509
  • Prestwick3_000476
  • 1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-
  • Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-
  • AS-30679
  • NCGC00178754-06
  • NSC27296
  • KBio1_000806
  • 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • phosphoric acid
  • DB01087
  • Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy
  • primaquinbis(phosphat)
  • 4-22-00-05817 (Beilstein Handbook Reference)
  • (+)-Primaquine
  • MVR3634GX1
  • Quinoline, 8-((4-amino-1-methylbutyl)amino)-6-methoxy-
  • n4-[6-methoxy-8-quinolinyl]-1,4-pentanediamine
  • Epitope ID:131792
  • AC-23007
  • AB00053529_12
  • N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • C15-H21-N3-O.2H3-O4-P
  • NCGC00178754-02
  • S. N. 13272
  • PRIMAQUINE [WHO-DD]
  • BCP29271
  • SCHEMBL22207
  • N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine
  • N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
  • phosphoric acid
  • HY-12651A
  • Oprea1_546209
  • N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine
  • Primaquine
  • Primaquinum [INN-Latin]
  • NSC 27296
  • Kanaprim
  • MFCD00598906
  • N-[(S)-4-Amino-1-methylbutyl]-6-methoxy-8-quinolinamine
  • UNII-MVR3634GX1
  • SN-13272
  • KBioSS_001310
  • TG1-296
  • BDBM71542
  • 1, N4-(6-methoxy-8-quinolinyl)-
  • PRIMAQUINE
  • GTPL9952
  • A843518
  • Maliride
  • D0T1LK
  • CS-0013754
  • 8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline
  • Spectrum3_000552
  • PRIMAQUINE [INN]
  • SBI-0051491.P003
  • N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
  • Spectrum5_001363
  • 8-(4-Amino-1-m
  • KBioGR_000967
  • (+)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
  • CCRIS 4109
  • DRG-0026
  • NCGC00178754-01
  • 6-Methoxy-8-[(4-amino-1-methylbutyl)amino]quinoline
  • CHEBI:8405
  • 6-Methoxy-8-((4-amino-1-methylbutyl)amino)quinoline
  • C15H21N3O
  • AB00053529-11
  • D08420
  • (+/-)-Primaquine
  • Spectrum2_000887
  • FT-0687514
  • 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-(9CI)
  • Primaquine Bis-Phosphoric Acid
  • Prestwick2_000476
  • ethylbutylamino)-6-methoxyquinoline
  • Kanaprim (TN)
  • AB00053529_14
  • SR-05000001864-11
  • Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy-
  • Prestwick1_000476
  • (RS)-primaquine
  • NINDS_000806
  • NSC-27296
  • SPBio_000674
  • BBL011330
  • WR 2975
  • N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine
  • SN 13272
  • Prestwick0_000476
  • 6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline
  • Primaquina [INN-Spanish]
  • BSPBio_000612
  • MLS001334045
  • N~4~-[6-(methyloxy)quinolin-8-yl]pentane-1,4-diamine
  • BSPBio_002223
  • NCI60_001035
  • (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine
  • phosphoric acid
  • SMR000875314
  • N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine
  • phosphoric acid
  • SMP1_000263
  • PRIMAQUINE [VANDF]
  • dl-Primaquine
  • Q419834
  • DivK1c_000806
  • 90-34-6
  • CHEMBL506
  • Primaquine [INN:BAN]
  • Spectrum4_000484
  • WLN: T66 BNJ HO1 JMY1&3Z
  • IDI1_000806
  • NCGC00178754-03
  • AB00053529
  • 6-Methoxy-8-[4-amino-1-methylbutylamino]quinoline
  • BPBio1_000674
  • Primachina [DCIT]
  • KBio2_006446
  • 8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline
  • 1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-, phosphate (1:2)
  • N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine (ACI)
  • Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy- (6CI, 8CI)
  • (±)-Primaquine
  • 1,4-Pentanediamine N4-(6-methoxy-8-quinolinyl)-
  • Leoprime
  • Malirid
  • MeSH ID: D011319
  • Pimaquin
  • Primacip
  • Primalex
  • DTXCID903509
  • P01BA03
  • NS00000469
  • Primaquina (INN-Spanish)
  • N-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
  • Primaquinum (INN-Latin)
物化性质
实验特性
LogP 3.55600
PSA 60.17000
折射率 1.5600 (estimate)
沸点 bp0.2 175-179°
熔点 25°C
闪点 226.6°C
颜色与性状 粘性液体。
溶解性 溶于醚。
密度 1.0313 (rough estimate)
计算特性
精确分子量 259.16800
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 6
同位素质量 259.168
重原子数量 19
复杂度 262
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 60.2A^2
国际标准相关数据
EINECS 201-987-2
海关数据
海关编码 2933499090
海关数据

中国海关编码:

2933499090

概述:

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthesis and antimalarial activity of trioxaquine derivatives
Dechy-Cabaret, Odile; Benoit-Vical, Francoise; Loup, Christophe; Robert, Anne; Gornitzka, Heinz; et al, Chemistry - A European Journal, 2004, 10(7), 1625-1636

合成路线:1 步

反应条件:
参考文献:
Liver-targeting of primaquine-(poly-γ-glutamic acid) and its degradation in rat hepatocytes
Tomiya, Noboru; Jardim, Juliette G.; Hou, Jennifer; Pastrana-Mena, Rebecca; Dinglasan, Rhoel R.; et al, Bioorganic & Medicinal Chemistry, 2013, 21(17), 5275-5281

合成路线:1 步

反应条件:
参考文献:
Design, synthesis and biological evaluation of novel primaquine-cinnamic acid conjugates of the amide and acylsemicarbazide type
Pavic, Kristina; Perkovic, Ivana; Gilja, Petra; Kozlina, Filip; Ester, Katja; et al, Molecules, 2016, 21(12), 1629/1-1629/25

合成路线:1 步

反应条件:
参考文献:
Synthesis, cytotoxicity and antimalarial activity of ferrocenyl amides of 4-aminoquinolines
N'Da, David D.; Breytenbach, Jaco C.; Smith, Peter J.; Lategan, Carmen, Arzneimittel Forschung, 2010, 60(10), 627-635

合成路线:1 步

反应条件:
参考文献:
Synthesis of primaquine glyco-conjugates as potential tissue schizontocidal antimalarial agents
Azad, Chandra S.; Saxena, Mridula; Siddiqui, Arif J.; Bhardwaj, Jyoti; Puri, Sunil K.; et al, Chemical Biology & Drug Design, 2017, 90(2), 254-261

合成路线:1 步

反应条件:
参考文献:
New pentasubstituted pyrrole hybrid atorvastatin-quinoline derivatives with antiplasmodial activity
Carvalho, Rita C. C.; Martins, Wagner A.; Silva, Tayara P.; Kaiser, Carlos R.; Bastos, Monica M.; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(8), 1881-1884

合成路线:1 步

反应条件:
参考文献:
Antimalarial and anti-inflammatory activities of new chloroquine and primaquine hybrids: Targeting the blockade of malaria parasite transmission
Boechat, Nubia; Carvalho, Rita C. C.; Ferreira, Maria de Lourdes G.; Coutinho, Julia Penna; Sa, Paula M.; et al, Bioorganic & Medicinal Chemistry, 2020, 28(24),

合成路线:1 步

反应条件:
参考文献:
Synthesis, characterization, and cellular localization of a fluorescent probe of the antimalarial 8-aminoquinoline primaquine
McQueen, Adonis; Blake, Lynn D.; Azhari, Ala; Kemp, M. Trent; McGaha, Tommy W. Jr.; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(20), 4597-4600

合成路线:1 步

反应条件:
参考文献:
Direct Deamination of Primary Amines via Isodiazene Intermediates
Berger, Kathleen J. ; Driscoll, Julia L.; Yuan, Mingbin; Dherange, Balu D. ; Gutierrez, Osvaldo ; et al, Journal of the American Chemical Society, 2021, 143(42), 17366-17373

合成路线:1 步

反应条件:
参考文献:
Primaquine homodimers as potential antiplasmodial and anticancer agents
Pavic, Kristina; Rubinic, Barbara; Rajic, Zrinka; Fontinha, Diana; Prudencio, Miguel; et al, Bioorganic & Medicinal Chemistry Letters, 2019, 29(19),

合成路线:1 步

参考文献:
Macromolecular prodrugs. XII. Primaquine conjugates: synthesis and preliminary antimalarial evaluation
Rajic, Zrinka; Kos, Gabrijela; Zorc, Branka; Singh, Prati Pal; Singh, Savita, Acta Pharmaceutica (Zagreb, 2009, 59(1), 107-115
专业数据库参考
PubChemId 4908
参考资料
Beilstein P187973
化合物详情(旧版)

SMILES

NCCCC(C)NC1=C2C(C=CC=N2)=CC(OC)=C1

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