Synonym
Watanipidine monohydrochloride; Watanipidine HCl; AE0047
IUPAC/Chemical Name
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, monohydrochloride
InChi Key
HEKGFDAQKCYYLS-UHFFFAOYSA-N
InChi Code
InChI=1S/C41H42N4O6.ClH/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32;/h4-20,27,38-39,42H,21-26H2,1-3H3;1H
SMILES Code
O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC([N+]([O-])=O)=C2)OCCC3=CC=C(N4CCN(C(C5=CC=CC=C5)C6=CC=CC=C6)CC4)C=C3.[H]Cl
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
723.27
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Ashimori A, Ono T, Inoue Y, et al. Novel 1,4-dihydropyridine calcium antagonists. II. Synthesis and antihypertensive activity of 3-[4-(substituted amino)phenylalkyl]ester derivatives. Chem Pharm Bull (Tokyo). 1991;39(1):91‐99. doi:10.1248/cpb.39.91
2: Ashimori A, Uchida T, Ohtaki Y, et al. Synthesis and pharmacological effects of optically active 2-[4-(4-benzhydryl-1-piperazinyl)phenyl]-ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate hydrochloride. Chem Pharm Bull (Tokyo). 1991;39(1):108‐111. doi:10.1248/cpb.39.108.
3: Yamanaga K, Shinyama H, Akira T, et al. AE0047-mediated calcium channel blocking in vascular smooth muscles. Gen Pharmacol. 1997;29(3):337‐343. doi:10.1016/s0306-3623(96)00515-0.
4: Nishikawa M, Kubo Y, Kido H, Nakayama T, Nakamura N. Protection against endothelial abnormalities by a novel calcium channel blocker, AE0047, in stroke-prone spontaneously hypertensive rats. Gen Pharmacol. 1999;32(3):299‐305. doi:10.1016/s0306-3623(98)00180-3
