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MedKoo Cat#: 413665 | Name: Diarctigenin

Description:

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

Diarctigenin is an NSAID isolated from Arctium lappa.

Chemical Structure

Diarctigenin
Diarctigenin
CAS#160433-41-0

Theoretical Analysis

MedKoo Cat#: 413665

Name: Diarctigenin

CAS#: 160433-41-0

Chemical Formula: C42H46O12

Exact Mass: 742.2989

Molecular Weight: 742.82

Elemental Analysis: C, 67.91; H, 6.24; O, 25.85

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Diarctigenin
IUPAC/Chemical Name
2(3H)-Furanone, 3,3'-((6,6'-dihydroxy-5,5'-dimethoxy(1,1'-biphenyl)-3,3'-diyl)bis(methylene))bis(dihydro-4-((3,4-dimethoxyphenyl)methyl)-, (3R-(3alpha(3'R*,4'R*),4beta))-
InChi Key
XYMRYKOVQDOJFH-VZNYXHRGSA-N
InChi Code
InChI=1S/C42H46O12/c1-47-33-9-7-23(17-35(33)49-3)11-27-21-53-41(45)29(27)13-25-15-31(39(43)37(19-25)51-5)32-16-26(20-38(52-6)40(32)44)14-30-28(22-54-42(30)46)12-24-8-10-34(48-2)36(18-24)50-4/h7-10,15-20,27-30,43-44H,11-14,21-22H2,1-6H3/t27-,28-,29+,30+/m0/s1
SMILES Code
COC1=CC(C[C@H]2C(OC[C@@H]2CC3=CC=C(OC)C(OC)=C3)=O)=CC(C4=C(O)C(OC)=CC(C[C@H]5C(OC[C@@H]5CC6=CC=C(OC)C(OC)=C6)=O)=C4)=C1O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 742.82 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
1: Kim BH, Hong SS, Kwon SW, Lee HY, Sung H, Lee IJ, Hwang BY, Song S, Lee CK, Chung D, Ahn B, Nam SY, Han SB, Kim Y. Diarctigenin, a lignan constituent from Arctium lappa, down-regulated zymosan-induced transcription of inflammatory genes through suppression of DNA binding ability of nuclear factor-kappaB in macrophages. J Pharmacol Exp Ther. 2008 Nov;327(2):393-401. doi: 10.1124/jpet.108.140145. Epub 2008 Aug 11. PMID: 18694995. 2: Khalid H, Ashfaq UA. Molecular docking and Pharmacoinformatics studies reveal potential phytochemicals against HCV NS5B Polymerase. Comb Chem High Throughput Screen. 2020 Dec 28. doi: 10.2174/1386207323666201228160224. Epub ahead of print. PMID: 33371844. 3: Park SY, Hong SS, Han XH, Hwang JS, Lee D, Ro JS, Hwang BY. Lignans from Arctium lappa and their inhibition of LPS-induced nitric oxide production. Chem Pharm Bull (Tokyo). 2007 Jan;55(1):150-2. doi: 10.1248/cpb.55.150. PMID: 17202721.