| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 19 | Yes |
Popular Name: 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline 8-(4-Amino-1-methylbutylamino)-6…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 63-45-6 , 63-45-6, 90-34-6 [primaqu , 63-45-6, 90-34-6 [primaquine] , 66616-84-0 , 90-34-6 , [63-45-6] , [90-34-6]
(+)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
(-)-N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-
1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-
1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)- (9CI)
4-22-00-05817 (Beilstein Handbook Reference)
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline
6-Methoxy-8-[(4-amino-1-methylbutyl)amino]quinoline
6-Methoxy-8-[4-amino-1-methylbutylamino]quinoline
63-45-6; CPD000875314; Primaquine Diphosphate; SAM002589929
63-45-6; D02126; Primaquine (TN); Primaquine phosphate (USP)
63-45-6; Prestwick_406; Primaquine diphosphate
8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline
8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline diphosphate salt
8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline
90-34-6; D08420; Kanaprim (TN); Primaquine (INN)
AMINOMETHYLBUTYLAMINOMETHOXYQUINOLIN
CPD000875314; Primaquine Diphosphate; SAM002589929
ethylbutylamino)-6-methoxyquinoline
INN); Primaquine Phosphate (FDA
N(4)-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine
N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; bis(phosphoric acid)
N-(5-aminopentan-2-yl)-6-methoxyquinolin-8-amine; phosphoric acid
N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine
N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate
N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine
N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate
N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
N~4~-[6-(methyloxy)quinolin-8-yl]pentane-1,4-diamine
primaquina; primaquine; primaquinum
Primaquine Bis-Phosphoric Acid
Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy
Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy-
Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-
Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy- (6CI,8CI)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.10 | 3.72 | -45.2 | 4 | 4 | 1 | 62 | 260.361 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 4.21 | -92.18 | 5 | 4 | 2 | 63 | 261.369 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 200 - 202 | Enamine Building Blocks |
| MP | 200...202 | Enamine Building Blocks |
| MP | 205 - 206 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 5.64e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Target | Antifection | Selleck Chemicals |
| Therapy | antimalarial | SMDC Iconix |
| PUBCHEM_PATENT_ID | EP0000291A1; EP0001796A1; EP0035856A2; EP0067671A2; EP0076158A2; EP0076636A1; EP0077551A2; EP0126685A1; EP0132384A2; EP0169618A2; EP0169618B2; EP0208576A1; EP0208615A1; EP0208615B1; EP0256562A2; EP0256562B1; EP0283329A1; EP0286491A1; EP0286491B1; EP029095 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-1603; NCC_SUPPLIER_SAMPLE_COMMENTS : ORANGE POWDER; 2 Phosphoric acid | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-1603; SALT: 2 Phosphoric acid; SUPPLIER_COMMENTS: ORANGE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 7500 | 0.38 | Binding ≤ 10μM |
| Z50038-1-O | Plasmodium Yoelii Yoelii (cluster #1 Of 2), Other | Other | 76 | 0.52 | Functional ≤ 10μM |
| Z50136-2-O | Plasmodium Falciparum (isolate FcB1 / Columbia) (cluster #2 Of 3), Other | Other | 9 | 0.59 | Functional ≤ 10μM |
| Z50339-1-O | Pneumocystis Carinii (cluster #1 Of 2), Other | Other | 8500 | 0.37 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 9650 | 0.37 | Functional ≤ 10μM |
| Z50473-4-O | Plasmodium Berghei (cluster #4 Of 5), Other | Other | 2000 | 0.42 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 6900 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 7500 | 0.38 | Binding ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6900 | 0.38 | Functional ≤ 10μM |
| Z50473 | Z50473 | Plasmodium Berghei | 2000 | 0.42 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1320 | 0.43 | Functional ≤ 10μM |
| Z50136 | Z50136 | Plasmodium Falciparum (isolate FcB1 / Columbia) | 6870 | 0.38 | Functional ≤ 10μM |
| Z50038 | Z50038 | Plasmodium Yoelii Yoelii | 640 | 0.46 | Functional ≤ 10μM |
| Z50339 | Z50339 | Pneumocystis Carinii | 2500 | 0.41 | Functional ≤ 10μM |
