| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2013 | 0 | No |
Popular Name: Nifedipine Nifedipine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 21829-25-4 , 21829-75-4 , [21829-25-4]
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
21829-25-4; Adalat (TN); Afeditab CR (TN); D00437; Nifedipine (JP16/USP/INN); Procardia (TN)
21829-25-4; C07266; Nifedipine
21829-25-4; Nifedipine; Prestwick_357
3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester; Nifedipine
Adalat; Adapine; Coracten; Nifecard; Nifecor; Nifedipres; Procardia
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| 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) | 3.07 | 9.27 | -20.79 | 1 | 8 | 0 | 110 | 346.339 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.77e-02 g/l | DrugBank-approved |
| MP | 171 - 175 | Enamine Building Blocks |
| MP | 171...175 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| biological_use | Antihypertensive agent | IBScreen Bioactives |
| Target | Calcium Channel | Selleck Chemicals |
| mechanism | Calcium channel blocker | IBScreen Bioactives IBScreen Bioactives |
| mechanism | causing dilation of the coronary and systemic arteries, | IBScreen Bioactives |
| biological_use | Coronary vasodilator | IBScreen Bioactives IBScreen Bioactives |
| UniProt Database Links | CP3A4_HUMAN; CP3A8_MACFA; CP3AB_MOUSE; INDY1_DROME; NRAM2_HUMAN; NRAM2_MOUSE; SOX7_XENLA | ChEBI |
| Patent Database Links | EP1106210; EP1285655; EP1438962; EP1479666; EP1533292; EP1541175; EP1541177; EP1543841; EP1553091; EP1555019; EP1604664; EP1629835; EP1634607; EP1669345; EP1690530; EP1698329; EP1717226; EP1731142; EP1764111; EP1772141; EP1785144; EP1808173; EP1829858; EP | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| mechanism | increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. | IBScreen Bioactives |
| mechanism | Inhibits the influx of extracellular calcium through myocardial and vascular membrane pores by physically plugging the channel | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| mechanism | The decrease in intracellular calcium inhibits the contractile processes of smooth muscle cells, | IBScreen Bioactives |
| biological_use | Used to treat Prinzmetal's angina, hypertension, and other vascular disorders such as Raynaud's phenomenon | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.