Watanipidine monohydrochloride

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 462034

CAS#: 116308-56-6

Description: Watanipidine monohydrochloride is a is a calcium channel antagonist. It is used in the research of hypertensive disease.


Chemical Structure

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Watanipidine monohydrochloride
CAS# 116308-56-6

Theoretical Analysis

MedKoo Cat#: 462034
Name: Watanipidine monohydrochloride
CAS#: 116308-56-6
Chemical Formula: C41H43ClN4O6
Exact Mass: 722.2871
Molecular Weight: 723.267
Elemental Analysis: C, 68.09; H, 5.99; Cl, 4.90; N, 7.75; O, 13.27

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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

Appearance: Solid powder

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 723.267 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.

Recalculate based on batch purity %
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

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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