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CITCO

CAT: 0931-T14973-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14973-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
338404-52-7
Target
Apoptosis
Related Pathways
Apoptosis
Purity
0.9962
Bioactivity
CITCO inhibits growth and expansion of brain tumour stem cells (BTSCs) and has an EC50 of 49 nM over pregnane X receptor (PXR), and no activity on other nuclear receptors. CITCO is an imidazothiazole derivative and it also is a selective Constitutive androstane receptor (CAR) agonist.
Smiles
C(=NOCC1=CC(Cl)=C(Cl)C=C1)C2=C(N=C3N2C=CS3)C4=CC=C(Cl)C=C4
Molecular Formula
C19H12Cl3N3OS
Molecular Weight
436.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime

1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine is a member of imidazoles.

CAS Number338404-52-7
PubChem CID9600409
IUPAC Name(E)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
Molecular FormulaC19H12Cl3N3OS
Molecular Weight436.7
XLogP7.3
Topological Polar Surface Area67.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity520
SMILES
C1=CC(=CC=C1C2=C(N3C=CSC3=N2)/C=N/OCC4=CC(=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+
InChIKey
ZQWBOKJVVYNKTL-AUEPDCJTSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime
CAS: 338404-52-7
CID: 9600409
Formula: C19H12Cl3N3OS
MW: 436.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.7
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass434.976666
Monoisotopic Mass434.976666
Topological Polar Surface Area67.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BML-GR233-0025CITCO
A19467-5CITCO 5mg
A19467-25CITCO 25mg

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