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PRMT5-IN-2

CAT: 0013-GTR19203236-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203236-01Size:25 mg
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Description
PRMT5-IN-2 is a potent and selective small molecule inhibitor of Protein Arginine Methyltransferase 5 (PRMT5) . It is a valuable chemical probe for investigating PRMT5 function in oncology and hematology research, supporting both in vitro biochemical assays and in vivo preclinical studies.
CAS Number
1989620-04-3
Field of Research
Epigenetics & Chromatin
Smiles
O[C@H]1[C@H] (N2C=3C (C=C2) =C (N) N=CN3) O[C@] ([C@H] (O) C4=CC (F) =C (Cl) C=C4) ([C@H]1O) [H]
Molecular Formula
C17H16ClFN4O4
Molecular Weight
394.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prmt5-IN-2
CAS Number1989620-04-3
PubChem CID122497021
IUPAC Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-chloro-3-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
Molecular FormulaC17H16ClFN4O4
Molecular Weight394.8
XLogP0.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity537
SMILES
C1=CC(=C(C=C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC4=C(N=CN=C43)N)O)O)O)F)Cl
InChI
InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
InChIKey
GTCYWLXMJRCJNE-QFRSUPTLSA-N
Chemical Structure
2D Structure
2D structure of Prmt5-IN-2
CAS: 1989620-04-3
CID: 122497021
Formula: C17H16ClFN4O4
MW: 394.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.8
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass394.0844109
Monoisotopic Mass394.0844109
Topological Polar Surface Area127 Ų
Heavy Atom Count27
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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