Products for Research Use Only

PRMT5-IN-28

CAT: 0013-GTR19230732-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230732-02Size:5 mg
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Description
PRMT5-IN-28 is a small molecule inhibitor of protein arginine methyltransferase 5 (PRMT5), an enzyme overexpressed in many cancers. This compound is a valuable research tool for investigating PRMT5's role in oncology, with applications in both in vitro cellular studies and in vivo preclinical models of tumorigenesis and immune modulation.
CAS Number
2242753-66-6
Field of Research
Epigenetics & Chromatin
Smiles
O[C@H]1[C@H] (N2C3=C (C=C2) C (=NOC) N=CN3) O[C@] ([C@H] (O) C4=CC=C (Cl) C=C4) ([C@H]1O) [H]
Molecular Formula
C18H19ClN4O5
Molecular Weight
406.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prmt5-IN-28
CAS Number2242753-66-6
PubChem CID135307505
IUPAC Name(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-[4-(methoxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
Molecular FormulaC18H19ClN4O5
Molecular Weight406.8
XLogP1.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity526
SMILES
CONC1=C2C=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C4=CC=C(C=C4)Cl)O)O)O
InChI
InChI=1S/C18H19ClN4O5/c1-27-22-16-11-6-7-23(17(11)21-8-20-16)18-14(26)13(25)15(28-18)12(24)9-2-4-10(19)5-3-9/h2-8,12-15,18,24-26H,1H3,(H,20,21,22)/t12-,13+,14-,15-,18-/m1/s1
InChIKey
AMEIDIZPVPXFLE-KQVLKZGSSA-N
Chemical Structure
2D Structure
2D structure of Prmt5-IN-28
CAS: 2242753-66-6
CID: 135307505
Formula: C18H19ClN4O5
MW: 406.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.8
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass406.1043974
Monoisotopic Mass406.1043974
Topological Polar Surface Area122 Ų
Heavy Atom Count28
Formal Charge0
Complexity526
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