Verbenalin | CAS#548-37-8 | Iridoid Glucoside

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

MedKoo CAT#: 112185

CAS#: 548-37-8

Description: Verbenalin is an iridoid glucoside that inhibits the activities of COX-1 and COX-2 and the proliferation of AGS gastric, SF-268 CNS, HCT116 colon, NCI H460 lung, and MCF-7 breast cancer cells.

Chemical Structure

Verbenalin

CAS# 548-37-8

Instruction

Theoretical Analysis

MedKoo Cat#: 112185
Name: Verbenalin
CAS#: 548-37-8
Chemical Formula: C17H24O10
Exact Mass: 388.14
Molecular Weight: 388.370
Elemental Analysis: C, 52.58; H, 6.23; O, 41.20

Price and Availability

Size	Price	Availability
1mg	USD 230	2 Weeks
5mg	USD 490	2 Weeks
10mg	USD 770	2 Weeks
25mg	USD 1180	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Verbenalin; Cornin; NSC 118055; NSC-118055; NSC118055

IUPAC/Chemical Name: methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

InChi Key: HLXRWTJXGMHOFN-XJSNKYLASA-N

InChi Code: InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

SMILES Code: COC(C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]3([C@@]1(C(C[C@@H]3C)=O)[H])[H])=O

Appearance: To be determined

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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	30.0	77.25
	DMSO	30.0	77.25
	PBS (pH:7.2)	10.0	25.75

Preparing Stock Solutions

The following data is based on the product molecular weight 388.37 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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Miao M, Guo L, Yan X, Wang T, Li Z. Effects of verbenalin on prostatitis mouse model. Saudi J Biol Sci. 2016 Jan;23(1):S148-57. doi: 10.1016/j.sjbs.2015.10.006. Epub 2015 Oct 24. PMID: 26858560; PMCID: PMC4705278.

2: Ferdousi F, Kondo S, Sasaki K, Uchida Y, Ohkohchi N, Zheng YW, Isoda H. Microarray analysis of verbenalin-treated human amniotic epithelial cells reveals therapeutic potential for Alzheimer's Disease. Aging (Albany NY). 2020 Mar 29;12(6):5516-5538. doi: 10.18632/aging.102985. Epub 2020 Mar 29. PMID: 32224504; PMCID: PMC7138585.

3: Cao L, Miao M, Qiao J, Bai M, Li R. The protective role of verbenalin in rat model of focal cerebral ischemia reperfusion. Saudi J Biol Sci. 2018 Sep;25(6):1170-1177. doi: 10.1016/j.sjbs.2017.10.005. Epub 2017 Oct 13. PMID: 30174518; PMCID: PMC6117236.

4: Schönbichler SA, Bittner LK, Pallua JD, Popp M, Abel G, Bonn GK, Huck CW. Simultaneous quantification of verbenalin and verbascoside in Verbena officinalis by ATR-IR and NIR spectroscopy. J Pharm Biomed Anal. 2013 Oct;84:97-102. doi: 10.1016/j.jpba.2013.04.038. Epub 2013 May 20. PMID: 23810849.

5: Horodysky AG, Waller GR, Eisenbraun EJ. Biosynthesis of methylcyclopentane monoterpenoids. IV. Verbenalin. J Biol Chem. 1969 Jun 25;244(12):3110-6. PMID: 5792652.

6: Yuan Y, Liao Q, Xue M, Shi Y, Rong L, Song Z, Tong Z, Zheng W, Zhu Q, Cui X, Tao Z. Shufeng Jiedu Capsules Alleviate Lipopolysaccharide-Induced Acute Lung Inflammatory Injury via Activation of GPR18 by Verbenalin. Cell Physiol Biochem. 2018;50(2):629-639. doi: 10.1159/000494184. Epub 2018 Oct 11. PMID: 30308517.

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