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GUN69400

CAT: 0013-GTR19242199-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242199-01Size:10 mg
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Description
GUN69400, also known as di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone hydrochloride, is a novel thiosemicarbazone compound. It demonstrates potent anti-neuroblastoma activity in both cellular and animal models, functioning through multiple mechanisms of action, making it a valuable research tool for oncology studies.
CAS Number
1382469-40-0
Smiles
Cl.S=C (NN=C (C1=NC=CC=C1) C2=NC=CC=C2) N (C) C3CCCCC3
Molecular Formula
C19H24ClN5S
Molecular Weight
389.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone hydrochloride
CAS Number1382469-40-0
PubChem CID57380303
IUPAC Name1-cyclohexyl-3-(dipyridin-2-ylmethylideneamino)-1-methylthiourea;hydrochloride
Molecular FormulaC19H24ClN5S
Molecular Weight389.9
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity441
SMILES
CN(C1CCCCC1)C(=S)NN=C(C2=CC=CC=N2)C3=CC=CC=N3.Cl
InChI
InChI=1S/C19H23N5S.ClH/c1-24(15-9-3-2-4-10-15)19(25)23-22-18(16-11-5-7-13-20-16)17-12-6-8-14-21-17;/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25);1H
InChIKey
GUBMTJGHYSVNRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone hydrochloride
CAS: 1382469-40-0
CID: 57380303
Formula: C19H24ClN5S
MW: 389.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight389.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass389.1440947
Monoisotopic Mass389.1440947
Topological Polar Surface Area85.5 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 Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202350-01GUN69400

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