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MedKoo Cat#: 573961 | Name: Agelastatin C

Description:

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

Agelastatin C is a biochemical that may act as a potent modulator for cancer invasion and metastasis.

Chemical Structure

Agelastatin C
Agelastatin C
CAS#201338-44-5

Theoretical Analysis

MedKoo Cat#: 573961

Name: Agelastatin C

CAS#: 201338-44-5

Chemical Formula: C12H13BrN4O4

Exact Mass: 356.0120

Molecular Weight: 357.16

Elemental Analysis: C, 40.35; H, 3.67; Br, 22.37; N, 15.69; O, 17.92

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
(-)-Agelastatin C, Agelastatin C
IUPAC/Chemical Name
Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-5b,8a-dihydroxy-8-methyl-, (5aR-(5aalpha,5bbeta,8abeta,9aalpha))-
InChi Key
FTXCKDLRLVUKQU-RMEKTUJTSA-N
InChi Code
1S/C12H13BrN4O4/c1-16-10(19)15-12(21)8-6(4-11(12,16)20)17-5(9(18)14-8)2-3-7(17)13/h2-3,6,8,20-21H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,11+,12-/m1/s1
SMILES Code
c12C(N[C@@H]3[C@H](n1c(cc2)Br)C[C@@]1([C@@]3(NC(N1C)=O)O)O)=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
>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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 357.16 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: Antropow AH, Xu K, Buchsbaum RJ, Movassaghi M. Synthesis and Evaluation of Agelastatin Derivatives as Potent Modulators for Cancer Invasion and Metastasis. J Org Chem. 2017 Aug 4;82(15):7720-7731. doi: 10.1021/acs.joc.7b01162. Epub 2017 Jul 25. PubMed PMID: 28696693; PubMed Central PMCID: PMC5600481. 2: Jouanneau M, McClary B, Reyes JC, Chen R, Chen Y, Plunkett W, Cheng X, Milinichik AZ, Albone EF, Liu JO, Romo D. Derivatization of agelastatin A leading to bioactive analogs and a trifunctional probe. Bioorg Med Chem Lett. 2016 Apr 15;26(8):2092-7. doi: 10.1016/j.bmcl.2016.02.051. Epub 2016 Feb 23. PubMed PMID: 26951751; PubMed Central PMCID: PMC5522753. 3: Stout EP, Choi MY, Castro JE, Molinski TF. Potent fluorinated agelastatin analogues for chronic lymphocytic leukemia: design, synthesis, and pharmacokinetic studies. J Med Chem. 2014 Jun 26;57(12):5085-93. doi: 10.1021/jm4016922. Epub 2014 Jun 10. PubMed PMID: 24673739; PubMed Central PMCID: PMC4079331.