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CM-1758

CAT: 0013-GTR19235691-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235691-02Size:50 mg
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Description
CM-1758 is an HDAC inhibitor that demonstrates antitumor efficacy in vivo and induces acetylation of non-histone proteins in AML cells. This small molecule is a useful research tool for investigating epigenetic mechanisms and therapeutic strategies in oncology, particularly in leukemia models.
CAS Number
2256079-39-5
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
N (CC1CCN (CC1) C=2N=CC (C (NO) =O) =CN2) C=3C4=C (N=C (C3) C=5C=C (C) OC5C) C=C (OC) C (OC) =C4
Molecular Formula
C28H32N6O5
Molecular Weight
532.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-[[[2-(2,5-dimethylfuran-3-yl)-6,7-dimethoxyquinolin-4-yl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CAS Number2256079-39-5
PubChem CID142495371
IUPAC Name2-[4-[[[2-(2,5-dimethylfuran-3-yl)-6,7-dimethoxyquinolin-4-yl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
Molecular FormulaC28H32N6O5
Molecular Weight532.6
XLogP3.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity792
SMILES
CC1=CC(=C(O1)C)C2=NC3=CC(=C(C=C3C(=C2)NCC4CCN(CC4)C5=NC=C(C=N5)C(=O)NO)OC)OC
InChI
InChI=1S/C28H32N6O5/c1-16-9-20(17(2)39-16)23-11-22(21-10-25(37-3)26(38-4)12-24(21)32-23)29-13-18-5-7-34(8-6-18)28-30-14-19(15-31-28)27(35)33-36/h9-12,14-15,18,36H,5-8,13H2,1-4H3,(H,29,32)(H,33,35)
InChIKey
ITJOEFMVQWOXCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[[[2-(2,5-dimethylfuran-3-yl)-6,7-dimethoxyquinolin-4-yl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CAS: 2256079-39-5
CID: 142495371
Formula: C28H32N6O5
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass532.24341814
Monoisotopic Mass532.24341814
Topological Polar Surface Area135 Ų
Heavy Atom Count39
Formal Charge0
Complexity792
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

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