A-395 hydrochloride | CAS#2089148-72-9

A-395 hydrochloride
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WARNING: This product is for research use only, not for human or veterinary use.

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

A-395 hydrochloride

CAS# 2089148-72-9 (free base)

Instruction

Theoretical Analysis

MedKoo Cat#: 407490
Name: A-395 hydrochloride
CAS#: 2089148-72-9 (free base)
Chemical Formula: C26H38Cl3FN4O2S
Exact Mass: 486.25
Molecular Weight: 596.020
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
5mg	USD 350	2 Weeks
25mg	USD 1050	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.

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A-395 hydrochloride featured