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MedKoo Cat#: 208368 | Name: Abrusoside A

Description:

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

Abrusoside A is an inhibitor of hACE2

Chemical Structure

Abrusoside A
Abrusoside A
CAS#124962-06-7

Theoretical Analysis

MedKoo Cat#: 208368

Name: Abrusoside A

CAS#: 124962-06-7

Chemical Formula: C36H54O10

Exact Mass: 646.3717

Molecular Weight: 646.82

Elemental Analysis: C, 66.85; H, 8.42; O, 24.73

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
Abrusoside-A
IUPAC/Chemical Name
(1S,3R,6S,7S,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
InChi Key
CJHYXUPCGHKJOO-OMWWMXIRSA-N
InChi Code
InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20?,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1
SMILES Code
CC(C(O1)=O)=CC[C@H]1[C@@H](C)C2CC[C@]3(C)[C@]2(C)CC[C@]4(C5)[C@H]3CC[C@@H]6[C@]45CC[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@]6(C)C(O)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 646.82 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 NC, Kinghorn AD, Kim DS. Semisynthesis of abrusoside A methyl ester. Org Lett. 1999 Jul 29;1(2):223-4. doi: 10.1021/ol9905598. PMID: 10905867. 2: Choi YH, Hussain RA, Pezzuto JM, Kinghorn AD, Morton JF. Abrusosides A-D, four novel sweet-tasting triterpene glycosides from the leaves of Abrus precatorius. J Nat Prod. 1989 Sep-Oct;52(5):1118-27. doi: 10.1021/np50065a032. PMID: 2691636. 3: Uhomoibhi JO, Shode FO, Idowu KA, Sabiu S. Molecular modelling identification of phytocompounds from selected African botanicals as promising therapeutics against druggable human host cell targets of SARS-CoV-2. J Mol Graph Model. 2022 Jul;114:108185. doi: 10.1016/j.jmgm.2022.108185. Epub 2022 Apr 12. PMID: 35430474; PMCID: PMC9002601. 4: Kim NC, Kim DS, Kinghorn AD. New triterpenoids from the leaves of Abrus precatorius. Nat Prod Lett. 2002 Aug;16(4):261-6. doi: 10.1080/10575630290020596. PMID: 12168762

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