Schizozygine | CAS#2047-63-4 | alkaloid

MedKoo Cat#: 461913 | Name: Schizozygine

Description:

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

Schizozygine is an alkaloid isolated from Schizozygia caffaeoides.

Chemical Structure

Schizozygine

CAS#2047-63-4

Theoretical Analysis

MedKoo Cat#: 461913

Name: Schizozygine

CAS#: 2047-63-4

Chemical Formula: C20H22N2O3

Exact Mass: 338.1630

Molecular Weight: 338.40

Elemental Analysis: C, 70.99; H, 6.55; N, 8.28; O, 14.18

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

Schizozygine;

IUPAC/Chemical Name

(41S,6aS,6a1R,14aS)-6,6a,13,14-tetrahydro-3H,41H,5H-6a1,14a-ethano[1,3]dioxolo[4',5':5,6]indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-13-ol

InChi Key

YHPBTHVWQBZTAG-BOZNIACGSA-N

InChi Code

InChI=1S/C20H22N2O3/c23-17-10-19-3-1-6-21-7-2-13-12-8-15-16(25-11-24-15)9-14(12)22(17)20(13,5-4-19)18(19)21/h1,3,8-9,13,17-18,23H,2,4-7,10-11H2/t13-,17?,18-,19-,20+/m0/s1

SMILES Code

OC1N2[C@]34[C@@](C5=C2C=C(OCO6)C6=C5)([H])CCN7[C@@]3([H])[C@@](C=CC7)(CC4)C1

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

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 338.40 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

1: Stephens PJ, Pan JJ, Devlin FJ, Urbanová M, Hájícek J. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism and optical rotation: the schizozygane alkaloid schizozygine. J Org Chem. 2007 Mar 30;72(7):2508-24. Epub 2007 Mar 6. PubMed PMID: 17338574. 2: Stephens PJ, Devlin FJ, Pan JJ. The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy. Chirality. 2008 May 15;20(5):643-63. Review. PubMed PMID: 17955495. 3: Padwa A, Flick AC, Lee HI. An approach to the isoschizozygane alkaloid core using a 1,4-dipolar cycloaddition of a cross-conjugated heteroaromatic betaine. Org Lett. 2005 Jul 7;7(14):2925-8. PubMed PMID: 15987171.