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RU-SKI 43 Hydrochloride

CAT: 0013-GTR19204884Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204884Size:2 mg
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Description
RU-SKI 43 Hydrochloride is a selective Hedgehog acyltransferase (Hhat) inhibitor (IC50 = 850 nM) . It is used in cancer research to study Hedgehog signaling, with applications in both in vitro and in vivo models for investigating tumor biology and therapeutic potential.
CAS Number
1782573-67-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
Cl.O=C (N1CCC=2SC=CC2C1COC3=CC=CC (=C3) C) CNCC (C) CC
Molecular Formula
C22H31ClN2O2S
Molecular Weight
423.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RU-SKI 43 hydrochloride
CAS Number1782573-67-4
PubChem CID90488982
IUPAC Name2-(2-methylbutylamino)-1-[4-[(3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride
Molecular FormulaC22H31ClN2O2S
Molecular Weight423.0
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity475
SMILES
CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2.Cl
InChI
InChI=1S/C22H30N2O2S.ClH/c1-4-16(2)13-23-14-22(25)24-10-8-21-19(9-11-27-21)20(24)15-26-18-7-5-6-17(3)12-18;/h5-7,9,11-12,16,20,23H,4,8,10,13-15H2,1-3H3;1H
InChIKey
JBBKLHJLHRGJSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RU-SKI 43 hydrochloride
CAS: 1782573-67-4
CID: 90488982
Formula: C22H31ClN2O2S
MW: 423.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass422.1794771
Monoisotopic Mass422.1794771
Topological Polar Surface Area69.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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