A-395 hydrochloride
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MedKoo CAT#: 407490

CAS#: 2089148-72-9 (free base)

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.


Chemical Structure

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A-395 hydrochloride
CAS# 2089148-72-9 (free base)

Theoretical Analysis

MedKoo Cat#: 407490
Name: A-395 hydrochloride
CAS#: 2089148-72-9 (free base)
Chemical Formula: C26H38Cl3FN4O2S
Exact Mass: 486.2465
Molecular Weight: 596.02
Elemental Analysis: C, 52.39; H, 6.43; Cl, 17.84; F, 3.19; N, 9.40; O, 5.37; S, 5.38

Price and Availability

Size Price Availability Quantity
5.0mg USD 350.0 2 Weeks
25.0mg USD 1050.0 2 Weeks
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Related CAS #: 2089148-72-9 (free base)   2138319-85-2 (S-isomer)   2138326-06-2 (R-isomer)   2089148-71-8    

Synonym: A-395; A 395; A395; A-395 hydrochloride; A-395 HCl

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 trihydrochloride

InChi Key: XLWXECXZKIBPKF-WLAAUKAYSA-N

InChi Code: InChI=1S/C26H35FN4O2S.3ClH/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;3*1H/t22-,24?,25+;;;/m1.../s1

SMILES Code: O=S(N1CCN(C2=CC=C([C@@H]3[C@@H](N(C)C)CN(C4CCC5=C4C(F)=CC=C5)C3)C=C2)CC1)(C)=O.[H]Cl.[H]Cl.[H]Cl

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

Preparing Stock Solutions

The following data is based on the product molecular weight 596.02 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

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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.