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MedKoo Cat#: 413270 | Name: Contignasterol

Description:

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

Contignasterol is a biochemical

Chemical Structure

Contignasterol
CAS#137571-30-3

Theoretical Analysis

MedKoo Cat#: 413270

Name: Contignasterol

CAS#: 137571-30-3

Chemical Formula: C29H48O7

Exact Mass: 508.3400

Molecular Weight: 508.70

Elemental Analysis: C, 68.47; H, 9.51; O, 22.02

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
Contignasterol; IZP94005; IZP 94005; IZP-94005
IUPAC/Chemical Name
Stigmas-tan-15-one, 22,29-epoxy-3,4,6,7,29-pentahydroxy-, (3-alpha,4-beta,5-alpha,6-alpha,7-beta,14-beta,22S)-
InChi Key
IRHVLQMEQPABHG-ZLYSWTFPSA-N
InChi Code
InChI=1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15-,16-,17+,18+,20-,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1
SMILES Code
CC(C)[C@H](CC(O)O1)C[C@H]1[C@@H](C)[C@H]2CC([C@]3([H])[C@]4([H])[C@@H](O)[C@H](O)[C@@]5([H])[C@@H](O)[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)=O
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
>2 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
2934.99.9001
More Info
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 508.70 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: Coulson FR, O'Donnell SR. The effects of contignasterol (IZP-94,005) on allergen-induced plasma protein exudation in the tracheobronchial airways of sensitized guinea-pigs in vivo. Inflamm Res. 2000 Mar;49(3):123-7. doi: 10.1007/s000110050569. PMID: 10807500. 2: Takei M, Burgoyne DL, Andersen RJ. Effect of contignasterol on histamine release induced by anti-immunoglobulin E from rat peritoneal mast cells. J Pharm Sci. 1994 Sep;83(9):1234-5. doi: 10.1002/jps.2600830909. PMID: 7530301. 3: Bramley AM, Langlands JM, Jones AK, Burgoyne DL, Li Y, Andersen RJ, Salari H. Effects of IZP-94005 (contignasterol) on antigen-induced bronchial responsiveness in ovalbumin-sensitized guinea-pigs. Br J Pharmacol. 1995 Aug;115(8):1433-8. doi: 10.1111/j.1476-5381.1995.tb16634.x. PMID: 8564202; PMCID: PMC1908893. 4: Yang L, Andersen RJ. Absolute configuration of the antiinflammatory [correction of antiinflamatory] sponge natural product contignasterol. J Nat Prod. 2002 Dec;65(12):1924-6. doi: 10.1021/np020297+. PMID: 12502341. 5: Sperry S, Crews P. Haliclostanone sulfate and halistanol sulfate from an Indo-Pacific Haliclona sponge. J Nat Prod. 1997 Jan;60(1):29-32. doi: 10.1021/np960592s. PMID: 9014348.

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