Details
Stereochemistry | RACEMIC |
Molecular Formula | C28H31N3O6 |
Molecular Weight | 505.5622 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)C1=C(C)NC(C)=C([C@@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)O[C@@H]3CCCN(CC4=CC=CC=C4)C3
InChI
InChIKey=QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1
Molecular Formula | C28H31N3O6 |
Molecular Weight | 505.5622 |
Charge | 0 |
Count |
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Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/16565579
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16565579
Benidipine is an orally triple L-, T-, and N-type calcium channel blocker for the treatment of hypertension and angina pectoris synthesized and developed by Kyowa Hakko Kogyo Co., Ltd. Benidipine, approved in Japan in November 1991, has become one of the three best selling CCBs and is highly useful as a potent, long-lasting antihypertensive and antianginal agent.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL2095229 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2624603 |
0.32 nM [Kd] | ||
Target ID: CHEMBL4478 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10525060 |
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Target ID: CHEMBL2362995 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15725949 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Primary | CONIEL Approved UseCONIEL is a calcium channel blocker and extensive clinical testing has demonstrated the sustained efficacy and effectiveness of this agent. A large body of evidence including clinical data and analyses demonstrates that CONIEL protects the heart, kidneys and brain from the effects of hypertension and angina pectoris. Launch Date1991 |
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Primary | CONIEL Approved UseCONIEL is a calcium channel blocker and extensive clinical testing has demonstrated the sustained efficacy and effectiveness of this agent. A large body of evidence including clinical data and analyses demonstrates that CONIEL protects the heart, kidneys and brain from the effects of hypertension and angina pectoris. Launch Date1991 |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16565579
Orally, 4 mg/day
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10525060
The oocytes expressing select Ca channels were cultured for 2 to 4 days and then subjected to electrophysiological measurement. The oocytes were placed in a small chamber perfused with extracellular solution , and Ba2+ currents through expressed channels were measured by the two-microelectrode voltageclamp method. The experimental chamber was 0.5 ml in volume, and it was perfused continuously with the extracellular solution. Typically, oocytes were clamped at a holding potential of 2100, 280, or 260 mV and depolarized to 110 mV for 200 ms every 15 s. Microelectrodes were filled with 3 M KCl, and those showing a resistance of 0.5 to 1.2 VM were used. Benidine was evaluated in concentration range of 0.1 - 100 uM, and demonstrated blocking effect with IC50 of 0.7 uM.
Substance Class |
Chemical
Created
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admin
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Edited
Fri Dec 15 17:40:17 GMT 2023
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Fri Dec 15 17:40:17 GMT 2023
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Record UNII |
4G9T91JS7E
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Record Status |
Validated (UNII)
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Record Version |
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WHO-VATC |
QC08CA15
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NCI_THESAURUS |
C333
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WHO-ATC |
C08CA15
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C81680
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105979-17-7
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4G9T91JS7E
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6137
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3880
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DTXSID0022648
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m2315
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C061004
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100000086351
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SUB05719MIG
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656668
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CHEMBL2218858
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BENIDIPINE
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DB09231
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE |
MAJOR
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BINDER->LIGAND |
BINDING
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SALT/SOLVATE -> PARENT |
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METABOLITE -> PARENT |
IN VITRO
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Tmax | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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