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Fimepinostat

CAT: 0127-BUP12971-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12971-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1339928-25-4
Synonyms
CUDC-907, PI3K/HDAC Inhibitor, CUDC 907
Purity
=95%
Smiles
COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1

Chemical Information

Fimepinostat

Fimepinostat (CUDC-907) has been used in trials studying the treatment of lymphoma, solid tumors, breast cancer, multiple myeloma, and NUT midline carcinoma, among others.

CAS Number1339928-25-4
PubChem CID54575456
IUPAC NameN-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
Molecular FormulaC23H24N8O4S
Molecular Weight508.6
XLogP1.3
Topological Polar Surface Area167
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity726
SMILES
CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO
InChI
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
InChIKey
JOWXJLIFIIOYMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fimepinostat
CAS: 1339928-25-4
CID: 54575456
Formula: C23H24N8O4S
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight508.6
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass508.16412245
Monoisotopic Mass508.16412245
Topological Polar Surface Area167 Ų
Heavy Atom Count36
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes