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CT-179

CAT: 0013-GTR19209995-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209995-02Size:5 mg
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Description
CT-179
CAS Number
1996636-69-1
Product Name Alternative
IMG7289, IMG 7289, Bomedemstat ditosylate, CT179, CT-179, CT 179
Field of Research
Neuroscience
Purity
98.67% (May vary between batches)
Smiles
CN (C) CCCNc1cc (C) nc (NC (=O) Nc2ccc (Cl) c (Cl) c2) n1
Molecular Formula
C17H22Cl2N6O
Molecular Weight
397.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CT-179

CT-179 is a member of the class of pyridines that is pyridine substituted by [(3,4-dichlorophenyl)carbamoyl]amino, [3-(dimethylamino)propyl]amino, and methyl groups at positions 2, 4 and 6, respectively. It is a small molecule inhibitor of OLIG2 developed by Curtana Pharmaceuticals for the treatment of glioblastoma, medulloblastoma, and other brain cancers. It has a role as an OLIG2 inhibitor and an antineoplastic agent. It is a member of phenylureas, a dichlorobenzene, a member of pyridines, a secondary amino compound and a tertiary amino compound.

CAS Number1996636-69-1
PubChem CID122520266
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]urea
Molecular FormulaC17H22Cl2N6O
Molecular Weight397.3
XLogP3.5
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity441
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)NCCCN(C)C
InChI
InChI=1S/C17H22Cl2N6O/c1-11-9-15(20-7-4-8-25(2)3)23-16(21-11)24-17(26)22-12-5-6-13(18)14(19)10-12/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22,23,24,26)
InChIKey
MWEZWAONAIZIAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CT-179
CAS: 1996636-69-1
CID: 122520266
Formula: C17H22Cl2N6O
MW: 397.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.3
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass396.1232147
Monoisotopic Mass396.1232147
Topological Polar Surface Area82.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity441
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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