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CRK12-IN-1

CAT: 1410-M35692-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CRK12-IN-1 is a potent CRK12 inhibitor with insecticidal activity and exhibits inhibitory effects on Trypanosoma brucei (T.b. brucei) and Trypanosoma congolense (T. congolense) with EC50s of 1.3 and 18 nM, respectively, rapidly killing the pathogenic cells.
CAS Number
1990479-14-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
472.57
Molecular Formula
C20H26F2N4O3S2
Notes
Research use only, not for human use.
Receptor
Antibiotic

Chemical Information

Crk12-IN-1
CAS Number1990479-14-5
PubChem CID122479916
IUPAC NameN-[4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide
Molecular FormulaC20H26F2N4O3S2
Molecular Weight472.6
XLogP5.1
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity704
SMILES
CC(C)CS(=O)(=O)NC1CCC(CC1)NC2=NC(=C(S2)C(=O)C3=C(C=CC=C3F)F)N
InChI
InChI=1S/C20H26F2N4O3S2/c1-11(2)10-31(28,29)26-13-8-6-12(7-9-13)24-20-25-19(23)18(30-20)17(27)16-14(21)4-3-5-15(16)22/h3-5,11-13,26H,6-10,23H2,1-2H3,(H,24,25)
InChIKey
DZBBFJPWMFEESI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Crk12-IN-1
CAS: 1990479-14-5
CID: 122479916
Formula: C20H26F2N4O3S2
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass472.14143938
Monoisotopic Mass472.14143938
Topological Polar Surface Area151 Ų
Heavy Atom Count31
Formal Charge0
Complexity704
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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