Benzoylhypaconine
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MedKoo CAT#: 464797

CAS#: 63238-66-4

Description: Benzoylhypaconine is a monoester diterpene alkaloid and hydrolyzed product of hypaconitine that has been found in Aconitum and has anti-inflammatory activity. It inhibits COX-2 activity in a cell-free assay (IC50 = 20.5 µM). Benzoylhypaconine (200 mg/kg) reduces histamine-induced vascular permeability in rats.

Chemical Structure

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Benzoylhypaconine
CAS# 63238-66-4
Instruction

Theoretical Analysis

MedKoo Cat#: 464797
Name: Benzoylhypaconine
CAS#: 63238-66-4
Chemical Formula: C31H43NO9
Exact Mass: 573.29
Molecular Weight: 573.683
Elemental Analysis: C, 64.90; H, 7.56; N, 2.44; O, 25.10

Price and Availability

Size Price Availability Quantity
5mg USD 385 2 Weeks
10mg USD 700 2 Weeks
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Synonym: Benzoylhypaconine; Benzoylhypacoitine; BHA;

IUPAC/Chemical Name: (3S,6S,7R,7aR,8R,9R,10S,11S,11aR,13R,14R)-9,11,11a-trihydroxy-6,10,13-trimethoxy-3-(methoxymethyl)-1-methyltetradecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl benzoate

InChi Key: MDFCJNFOINXVSU-LUOWNJJZSA-N

InChi Code: InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20?,21+,22-,23?,24+,25-,26+,28+,29-,30?,31-/m1/s1

SMILES Code: CO[C@H]1CC[C@](C2)(COC)[C@]3([H])C1(C(C4[C@@H]3OC)N2C)[C@@]([H])([C@@H]([C@]4(O)[C@H]5O)[C@]6(OC(C7=CC=CC=C7)=O)[H])C[C@]6(O)[C@H]5OC

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 52.29
DMSO 30.0 52.29
Ethanol 30.0 52.29

Preparing Stock Solutions

The following data is based on the product molecular weight 573.68 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Fan B, Xu S, Bi J, Huang S, Zu Z, Qian C. Simultaneous Determination of Six Alkaloids in Rat Plasma by SPE-HPLC-MS/MS and Their Pharmacokinetics after Oral Administration of Radix aconiti Preparata Extract. ACS Pharmacol Transl Sci. 2020 Dec 6;4(1):118-127. doi: 10.1021/acsptsci.0c00133. PMID: 33615166; PMCID: PMC7887741.