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PRMT5-IN-1

CAT: 0013-GTR19205073-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205073-02Size:50 mg
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Description
PRMT5-IN-1 is a potent, covalent inhibitor of protein arginine methyltransferase 5 (PRMT5), demonstrating an IC50 of 11 nM against the PRMT5/MEP50 complex. This compound is a valuable chemical probe for investigating PRMT5 function in oncology and hematology research, supporting both in vitro biochemical and cellular studies.
CAS Number
2366149-83-7
Field of Research
Epigenetics & Chromatin
Smiles
O[C@H]1[C@H] (N2C3=C (C=4N (C=N3) C (O) CN4) C=C2) O[C@] ([C@H] (O) C5=CC=C (Cl) C=C5) ([C@H]1O) [H]
Molecular Formula
C19H19ClN4O5
Molecular Weight
418.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prmt5-IN-1
CAS Number2366149-83-7
PubChem CID135308826
IUPAC Name(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-(5-hydroxy-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-10-yl)oxolane-3,4-diol
Molecular FormulaC19H19ClN4O5
Molecular Weight418.8
XLogP-0.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity688
SMILES
C1C(N2C=NC3=C(C2=N1)C=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)[C@@H](C5=CC=C(C=C5)Cl)O)O)O)O
InChI
InChI=1S/C19H19ClN4O5/c20-10-3-1-9(2-4-10)13(26)16-14(27)15(28)19(29-16)23-6-5-11-17-21-7-12(25)24(17)8-22-18(11)23/h1-6,8,12-16,19,25-28H,7H2/t12?,13-,14+,15-,16-,19-/m1/s1
InChIKey
LTPABOINPMWTKU-BHUSIORFSA-N
Chemical Structure
2D Structure
2D structure of Prmt5-IN-1
CAS: 2366149-83-7
CID: 135308826
Formula: C19H19ClN4O5
MW: 418.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.8
XLogP3-0.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass418.1043974
Monoisotopic Mass418.1043974
Topological Polar Surface Area123 Ų
Heavy Atom Count29
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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