A-395

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

MedKoo CAT#: 407490

CAS#: 2089148-71-8

Description: A-395 is a potent and selective EED inhibitor. A-395 includes potent binding to EED with Ki = 0.4 nM, inhibits the PRC2 complex with IC50 = 34 nM for methylation of H3K27 and greater than 100-fold selectivity over other histone methyltransferases and non-epigenetic targets. In cellular assays, A-395 inhibits the PRC2 complex (thus inhibiting the formation of H3K27me3) with IC50 = 90 nM (RD rhabdoid tumor cell line; 3 days). A-395 represents a first-in-class antagonist of PRC2 protein-protein interactions (PPI) for use as a chemical probe to investigate the roles of EED-containing protein complexes.


Price and Availability

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A-395 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407490
Name: A-395
CAS#: 2089148-71-8
Chemical Formula: C26H35FN4O2S
Exact Mass: 486.2465
Molecular Weight: 486.6504
Elemental Analysis: C, 64.17; H, 7.25; F, 3.90; N, 11.51; O, 6.58; S, 6.59


Related CAS #: 2089148-72-9   2089148-71-8  

Synonym: A-395; A 395; A395.

IUPAC/Chemical Name: (3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)pyrrolidin-3-amine

InChi Key: REVJNSVNICWODC-KIDMSAQOSA-N

InChi Code: InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1

SMILES Code: CN([C@H]1CN(C2CCC3=C2C(F)=CC=C3)C[C@@H]1C4=CC=C(N5CCN(S(=O)(C)=O)CC5)C=C4)C


Technical Data

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).

Harmonized System Code:
293490


References

1: Targeting the EED-H3K27me3 Interaction Allosterically Inhibits PRC2. Cancer
Discov. 2017 Apr;7(4):OF8. doi: 10.1158/2159-8290.CD-RW2017-030. Epub 2017 Feb
13. PubMed PMID: 28193775.

2: He Y, Selvaraju S, Curtin ML, Jakob CG, Zhu H, Comess KM, Shaw B, The J,
Lima-Fernandes E, Szewczyk MM, Cheng D, Klinge KL, Li HQ, Pliushchev M, Algire
MA, Maag D, Guo J, Dietrich J, Panchal SC, Petros AM, Sweis RF, Torrent M,
Bigelow LJ, Senisterra G, Li F, Kennedy S, Wu Q, Osterling DJ, Lindley DJ, Gao W,
Galasinski S, Barsyte-Lovejoy D, Vedadi M, Buchanan FG, Arrowsmith CH, Chiang GG,
Sun C, Pappano WN. The EED protein-protein interaction inhibitor A-395
inactivates the PRC2 complex. Nat Chem Biol. 2017 Apr;13(4):389-395. doi:
10.1038/nchembio.2306. Epub 2017 Jan 30. PubMed PMID: 28135237.

3: Segal L, Carter R, Zimmet P. The cost of obesity: the Australian perspective.
Pharmacoeconomics. 1994;5(Suppl 1):45-52. PubMed PMID: 10147249.