Molecular Details

DICL_CP_0344177 - dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0344177

PubChem CID

4485

Molecular Formula

C₁₇H₁₈N₂O₆

Molecular Weight

346.339 g/mol

Synonyms/Alias

[nifedipine; 21829-25-4; Adalat; Procardia; Procardia XL; Adalat CC; Fenihidine; Citilat; Cordipin; Corinfar; Oxcord; Coracten; Fenihidin; dimethyl 2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydropyridine-3...[nifedipine; 21829-25-4; Adalat; Procardia; Procardia XL; Adalat CC; Fenihidine; Citilat; Cordipin; Corinfar; Oxcord; Coracten; Fenihidin; dimethyl 2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydropyridine-3;5-dicarboxylate; Afeditab CR; Bay-a-1040; Nifediac; Nifedipinum; Adalate; Adapine; Nifedical; Afeditab; Cordafen; Cordaflex; Corynphar; Hexadilat; Introcar; Kordafen; Nifecard; Nifedipino; Nifedipres; Tibricol; Anifed; Glopir; Nifecor; Nifedin; Nifelat; Pidilat; Sepamit; Zenusin; Orix; Adipine XL; Adalat LA; BAY A 1040; 1;4-Dihydro-2;6-dimethyl-4-(2-nitrophenyl)-3;5-pyridinedicarboxylic acid dimethyl ester; 3;5-Pyridinedicarboxylic acid; 1;4-dihydro-2;6-dimethyl-4-(2-nitrophenyl)-; dimethyl ester; Nifedical XL; Nifedipine slow release; CCRIS 6074; CHEBI:7565; Nifedipinum [INN-Latin]; Nifedipino [INN-Spanish]; I9ZF7L6G2L; MFCD00057326; NSC-757242; 3;5-dimethyl 2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydropyridine-3;5-dicarboxylate; DTXSID2025715; EINECS 244-598-3; CHEMBL193; UNII-I9ZF7L6G2L; BRN 0497773; Dimethyl 1;4-dihydro-2;6-dimethyl-4-(2-nitrophenyl)-3;5-pyridinedicarboxylate; Dimethyl 1;4-dihydro-2;6-dimethyl-4-(2-nitrophenyl)-3;5-pyridinedicarboxylate; MLS000028521; DTXCID205715; BAY-a 1040; HSDB 7775; 4-(2-Nitrophenyl)-2;6-dimethyl-3;5-dicarbomethoxy-1;4-dihydropyridine; Dimethyl 1;4-dihydro-2;6-dimethyl-4-(o-nitrophenyl)-3;5-pyridinedicarboxylate; NSC 757242; NCGC00015748-11; Chronadalate; Dignokonstant; Niphedipine; Adapress; Aldipin; Alfadal; Angipec; Aprical; Bonacid; Calcibloc; Calcigard; Calcilat; Cardifen; Cardilat; Cardionorm; Cordalat; Cordicant; Cordilan; Corotrend; Dilafed; Dipinkor; Duranifin; Ecodipi; Ecodipin; Fenamon; Hadipin; Macorel; Megalat; Myogard; Nifedicor; Nifelan; Nificard; SMR000058291; Alonix; Anpine; Camont; Fedcor; Depin; Alat; Adalat Retard; CAS-21829-25-4; Fedcor Retard; Adalat Crono; Chronadalate LP; Nifedipinum (INN-Latin); Adalat Oros; Ecodipin E; Apo-Nifed; Nifedipino (INN-Spanish); Nifensar XL; Alonix S; Fenamon SR; Adalat CR; Adalat FT; Adalat LP; Adalat PA; NIFEDIPINE (MART.); NIFEDIPINE [MART.]; Adalat GITS; 4-(2-Nitrophenyl)-2;6-dimethyl-1;4-dihydropyridin-3;5-dicarbonsaeuredimethylester; NIFEDIPINE (USP-RS); NIFEDIPINE [USP-RS]; Adalat 5; 5-22-04-00268 (Beilstein Handbook Reference); Adalat 10; Adalat 20; Adalat GITS 30; NIFEDIPINE (EP MONOGRAPH); NIFEDIPINE (USP IMPURITY); NIFEDIPINE [EP MONOGRAPH]; NIFEDIPINE [USP IMPURITY]; Alpha-Nifedipine Retard; Emaberin; NIFEDIPINE (USP MONOGRAPH); NIFEDIPINE [USP MONOGRAPH]; Dilcor; Aprical long; Slofedipine XL; Fortipine LA; Tensipine MR; 2;6-Dimethyl-3;5-dicarbomethoxy-4-(2-nitrophenyl)-1;4-dihydropyridine; 4-(2-Nitrophenyl)-2;6-dimethyl-3;5-dicarbomethoxy-1;4-dihydropyridine; Adalate LP; Adalat XL; Nifedipine (USAN:USP:INN:BAN:JAN); Nifedipine [USAN:USP:INN:BAN:JAN]; Dimethyl 4-(2-nitrophenyl)-2;6-dimethyl-1;4-dihydropyridine-3;5-dicarboxylate; Procardia (TN); 193689-82-6; Adalat (TN); Afeditab CR (TN); SR-01000075332; nifedipina; BAYa1040; Aldipine; NifedicalXL; NifedipineER; ProcardiaXL; AfeditabCR; NifedicalXLXL; Nifediac Cc; Nifedipine;(S); BAY 1040; KB-1712P; Prestwick_357; Nifedipine (Adalat); Spectrum_000979; Tocris-1075; NIFEDIPINE [MI]; NIFEDIPINE [INN]; NIFEDIPINE [JAN]; Opera_ID_1816; Prestwick0_000063; Prestwick1_000063; Prestwick2_000063; Prestwick3_000063; Spectrum2_001058; Spectrum3_000516; Spectrum4_000074; Spectrum5_001278; Lopac-N-7634; NIFEDIPINE [HSDB]; NIFEDIPINE [USAN]; NifedipineExtended Release; NIFEDIPINE [VANDF]; Dimethyl 2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydro-3;5-pyridinedicarboxylate; N 7634; cid_4485; SCHEMBL3968; NIFEDIPINE [WHO-DD]; NIFEDIPINE [WHO-IP]; BIDD:PXR0034; CBiol_001826; Lopac0_000819; Oprea1_788617; BSPBio_000245; BSPBio_001391; BSPBio_002071; KBioGR_000111; KBioGR_000627; KBioGR_002400; KBioSS_000111; KBioSS_001459; KBioSS_002405; MLS000758222; MLS001148146; MLS001401371; BIDD:GT0442; DivK1c_000313; SPECTRUM1500431; SPBio_001016; SPBio_002166; BPBio1_000271; GTPL2514; Nifedipine (JP17/USP/INN); NIFEDIPINE [ORANGE BOOK]; BCBcMAP01_000046; HMS500P15; KBio1_000313; KBio2_000111; KBio2_001459; KBio2_002400; KBio2_002679; KBio2_004027; KBio2_004968; KBio2_005247; KBio2_006595; KBio2_007536; KBio3_000221; KBio3_000222; KBio3_001571; KBio3_002879; C08CA05; TN 873R; cMAP_000042; NINDS_000313; Bio1_000112; Bio1_000601; Bio1_001090; Bio2_000111; Bio2_000591; HMS1361F13; HMS1568M07; HMS1791F13; HMS1920P19; HMS1989F13; HMS2051O03; HMS2089H11; HMS2091H20; HMS2095M07; HMS2233B22; HMS3262D19; HMS3267G06; HMS3393O03; HMS3412E17; HMS3651M19; HMS3676E17; HMS3712M07; HMS3748O21; Pharmakon1600-01500431; NIFEDIPINUM [WHO-IP LATIN]; BCP21147; HY-B0284; L-Type Calcium Channel Blocker III; Tox21_110212; Tox21_200304; Tox21_500819; BBL023163; BDBM50000778; BDBM50101817; CCG-40115; HB1228; NSC757242; NSC786036; s1808; STK735567; AKOS002942507; AKOS037515769; Nifedipine - CAS 21829-25-4; Nifedipine; >=98% (HPLC); powder; Tox21_110212_1; AC-8061; CCG-100758; DB01115; KS-1456; LP00819; NC00008; NSC-786036; SDCCGSBI-0050796.P005; 4-(2-Nitrophenyl)-2;6-dimethyl-1;4-dihydropyridin-3;5-dicarbonsaeuredimethylester [German]; IDI1_000313; IDI1_033861; Bay-1040;Bay 1040;Bay1040; NCGC00015748-01; NCGC00015748-02; NCGC00015748-03; NCGC00015748-04; NCGC00015748-05; NCGC00015748-06; NCGC00015748-07; NCGC00015748-08; NCGC00015748-09; NCGC00015748-10; NCGC00015748-12; NCGC00015748-13; NCGC00015748-14; NCGC00015748-15; NCGC00015748-17; NCGC00015748-33; NCGC00021710-02; NCGC00024983-01; NCGC00024983-02; NCGC00024983-03; NCGC00024983-04; NCGC00024983-05; NCGC00024983-06; NCGC00024983-07; NCGC00024983-08; NCGC00091707-01; NCGC00091707-02; NCGC00091707-03; NCGC00257858-01; NCGC00261504-01; BN166183; CPD000058291; PD003075; PD033039; SY074220; SBI-0050796.P004; EU-0100819; N0528; NS00002967; SW219724-1; BIM-0050796.0001; C07266; D00437; EN300-120627; Q39111; AB00052051-05; AB00052051_06; AB00052051_07; A899873; L001054; Q-201471; SR-01000075332-1; SR-01000075332-3; SR-01000075332-4; SR-01000075332-6; BRD-K96354014-001-01-3; BRD-K96354014-001-10-4; Z90350374; F2173-0802; Nifedipine; British Pharmacopoeia (BP) Reference Standard; Nifedipine; European Pharmacopoeia (EP) Reference Standard; Nifedipine; United States Pharmacopeia (USP) Reference Standard; 4-(2-nitrophenyl)-2;6 dimethyl-3;5-dicarbmethoxy-1;4-dihydropyridine; 4-(2-nitrophenyl)-2;6-dimethyl-3;5-dicarbmethoxy-1;4-dihydropyridine; Nifedipine; Pharmaceutical Secondary Standard; Certified Reference Material; 1;4-Dihydro-2;6-dimethyl-4-(2-nitrophenyl)-3;5-pyridinedicarboxylicaciddimethylester; 2;6-dimethyl-4-(2nitrophenyl)-1;4-dihydropyridine-3;5-dicarboxylic acid 3;5-dimethyl ester; 4-(2-Nitrophenyl)-2;6-dimethyl-1;4-dihydropyridin-3;5-dicarbonsauredimethylester; Dimethyl (4-(2-nitrophenyl)-2;6-dimethyl-1;4-dihydropyridine-3;5-dicarboxylate); Dimethyl 2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydro-3;5-pyridinedicarboxylate #; dimethyl 4-(o-nitrophenyl)-2;6-dimethyl-1;4-dihydro-3;5-pyridinedicarboxylate; dimethyl2;6-dimethyl-4-(2-nitrophenyl)-1;4-dihydropyridine-3;5-dicarboxylate; 101539-70-2; 2;6-DIMETHYL-4-(2-NITROPHENYL)-1;4-DIHYDROPYRIDINE-3;5-DICARBOXYLIC ACID DIMETHYL ESTER; 3;5-Pyridinedicarboxylic acid; 1;4-dihydro-2;6-dimethyl-4-(2-nitrophenyl)-; dimethyl ester (9CI); 3;5-PYRIDINEDICARBOXYLIC ACID; 1;4-DIHYDRO-2;6-DIMETHYL-4-(O-NITROPHENYL)-; DIMETHYL ESTER; 3;5-Pyridinedicarboxylic acid; 1;4-dihydro-2;6-dimethyl-4-(o-nitrophenyl)-; dimethyl ester (8CI); 915092-63-6]

InChI Key

HYIMSNHJOBLJNT-UHFFFAOYSA-N

InChI

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,...

IUPAC Name

dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

CAS Number

21829-25-4

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

25 26 0 0 0 0 0 0 0 0999 V2000
-3.4040 -2.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0153 -2.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 -0...

Download SDF File (2249 bytes)

Experimental Data

Activity Data

Target Ion Channel

Glycine receptor alpha-3

Uniprot Accession Number

O75311

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 29200 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−40 mV mV

Temperature

19–22 °C

Test Method

Patch-clamping

Test Species

HEK293T cell (Homo sapiens embryonic kidney 293T cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/j.neuropharm.2008.07.001

URL

N/A (Not available)

PMID

18657556

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.1756

Complexity

88.4051

TPSA (Å²)

107.77

H-Bond Donors

H-Bond Acceptors

Ring Count

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