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A-395

CAT: 0013-GTR19177636-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177636-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-395 is a potent small molecule antagonist that disrupts the protein-protein interactions within the PRC2 complex, specifically inhibiting the EZH2-EED-SUZ12 trimer with an IC50 of 18 nM. It is a valuable chemical probe for studying PRC2 biology in epigenetic research, applicable in both in vitro biochemical assays and cellular studies.
CAS Number
2089148-72-9
Product Name Alternative
A 395, A395, A-395, inhibit, Inhibitor, HistoneMethyltransferase, Histone Methyltransferase, PRC2
Field of Research
Epigenetics & Chromatin
Purity
97.82% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (2.05 mM) ; DMSO:100 mg/mL (205.49 mM)
Smiles
CN (C) [C@H]1CN (C[C@@H]1c1ccc (cc1) N1CCN (CC1) S (C) (=O) =O) C1CCc2cccc (F) c12
Molecular Formula
C26H35FN4O2S
Molecular Weight
486.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(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
CAS Number2089148-72-9
PubChem CID123132213
IUPAC Name(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine
Molecular FormulaC26H35FN4O2S
Molecular Weight486.6
XLogP3.1
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity789
SMILES
CN(C)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C4CCC5=C4C(=CC=C5)F
InChI
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
InChIKey
REVJNSVNICWODC-KIDMSAQOSA-N
Chemical Structure
2D Structure
2D structure of (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
CAS: 2089148-72-9
CID: 123132213
Formula: C26H35FN4O2S
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass486.24647571
Monoisotopic Mass486.24647571
Topological Polar Surface Area55.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T10205-01A-395
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