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MedKoo Cat#: 146082 | Name: Paspalicine

Description:

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

Paspalicine is an alkaloid compound derived from certain species of Paspalum, a genus of grasses. It has demonstrated potential applications in medicinal chemistry, particularly for its antimicrobial and anticancer properties. The mechanism of paspalicine involves the inhibition of key enzymes or disruption of cellular processes, such as DNA replication or protein synthesis, in target cells, leading to the suppression of tumor growth or the killing of pathogens.

Chemical Structure

Paspalicine
Paspalicine
CAS#11024-55-8

Theoretical Analysis

MedKoo Cat#: 146082

Name: Paspalicine

CAS#: 11024-55-8

Chemical Formula: C27H31NO3

Exact Mass: 417.2304

Molecular Weight: 417.55

Elemental Analysis: C, 77.67; H, 7.48; N, 3.35; O, 11.49

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
Paspalicine; Paspalicin;
IUPAC/Chemical Name
(3R,5bR,7aS,13bS,13cS,15aS)-2,2,13b,13c-tetramethyl-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-4H-3,15a-epoxyoxepino[2'',3'':5',6']benzo[1',2':6,7]indeno[1,2-b]indol-4-one
InChi Key
HSFKQYJRJBEWKH-XTHGXZEWSA-N
InChi Code
1S/C27H31NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,14-15,18,23,28H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1
SMILES Code
[H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]5(C)CC[C@@]67O[C@@H](C(=O)C=C6[C@]5([H])CC2)C(C)(C)O7
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 417.55 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: Guo LD, Xu Z, Tong R. Asymmetric Total Synthesis of Indole Diterpenes Paspalicine, Paspalinine, and Paspalinine-13-ene. Angew Chem Int Ed Engl. 2022 Jan 17;61(3):e202115384. doi: 10.1002/anie.202115384. Epub 2021 Nov 27. PMID: 34784090. 2: Steyn PS, Vleggaar R. Tremorgenic mycotoxins. Fortschr Chem Org Naturst. 1985;48:1-80. doi: 10.1007/978-3-7091-8815-6_1. PMID: 3912307. 3: Knaus HG, McManus OB, Lee SH, Schmalhofer WA, Garcia-Calvo M, Helms LM, Sanchez M, Giangiacomo K, Reuben JP, Smith AB 3rd, et al. Tremorgenic indole alkaloids potently inhibit smooth muscle high-conductance calcium-activated potassium channels. Biochemistry. 1994 May 17;33(19):5819-28. doi: 10.1021/bi00185a021. PMID: 7514038. 4: Nicholson MJ, Koulman A, Monahan BJ, Pritchard BL, Payne GA, Scott B. Identification of two aflatrem biosynthesis gene loci in Aspergillus flavus and metabolic engineering of Penicillium paxilli to elucidate their function. Appl Environ Microbiol. 2009 Dec;75(23):7469-81. doi: 10.1128/AEM.02146-08. Epub 2009 Oct 2. PMID: 19801473; PMCID: PMC2786402. 5: Sunazuka T. [Synthetic studies of microbial natural products from microorganisms]. Jpn J Antibiot. 2003 Feb;56(1):66-79. Japanese. PMID: 12723401.