MedKoo Cat#: 145878 | Name: Ergocristam

Description:

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

Ergocristam is a compound derived from the ergot alkaloid family, which is primarily used in research and pharmaceutical applications for its neuroactive properties. It acts as a vasoconstrictor, influencing blood flow and exerting effects on smooth muscle tissues, particularly in the treatment of conditions related to poor blood circulation. Ergocristam works by interacting with serotonin, dopamine, and adrenergic receptors, modulating the release and activity of neurotransmitters involved in vascular tone and smooth muscle contraction. Its applications include the potential management of migraine headaches and certain vascular disorders, though its use is limited due to side effects associated with ergot derivatives.

Chemical Structure

Ergocristam
Ergocristam
CAS#50868-53-6

Theoretical Analysis

MedKoo Cat#: 145878

Name: Ergocristam

CAS#: 50868-53-6

Chemical Formula: C35H39N5O4

Exact Mass: 593.3000

Molecular Weight: 593.73

Elemental Analysis: C, 70.80; H, 6.62; N, 11.80; O, 10.78

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
Ergocristam;
IUPAC/Chemical Name
(6aR,9R)-N-((S)-1-((3S,8aR)-3-benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-methyl-1-oxobutan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
InChi Key
KMDKLWZQLMBIBS-HVWSGMRBSA-N
InChi Code
1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1
SMILES Code
[H][C@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N(C(=O)[C@@H](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=CNC7=C6C(=CC=C7)C5=C4)C(C)C)C2=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 593.73 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: Olsovská J, Sulc M, Novák P, Pazoutová S, Flieger M. Liquid chromatography- tandem mass spectrometry characterization of ergocristam degradation products. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Oct 1;873(2):165-72. doi: 10.1016/j.jchromb.2008.08.004. Epub 2008 Aug 15. PMID: 18774762. 2: Pazoutová S, Olsovská J, Sulc M, Chudícková M, Flieger M. Claviceps nigricans and Claviceps grohii: their alkaloids and phylogenetic placement. J Nat Prod. 2008 Jun;71(6):1085-8. doi: 10.1021/np8001173. Epub 2008 May 8. PMID: 18461998. 3: Uhlig S, Petersen D. Lactam ergot alkaloids (ergopeptams) as predominant alkaloids in sclerotia of Claviceps purpurea from Norwegian wild grasses. Toxicon. 2008 Jul;52(1):175-85. doi: 10.1016/j.toxicon.2008.05.002. Epub 2008 May 29. PMID: 18639312.