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TH470

CAT: 0931-T73545-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T73545-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2834739-51-2
Target
Others, LIM Kinase
Related Pathways
Others, Cell Cycle/Checkpoint
Bioactivity
TH470, a potent and highly selective inhibitor of LIM kinase 1/2 (LIMK1/2), demonstrates specificity with IC50 values of 9.8 nM for LIMK1 and 13 nM for LIMK2, making it applicable in orphan disease research.
Smiles
S(NC1=CC=CC=C1)(=O)(=O)C2=CC=C(C(N(CC3=CC=CC=C3)CCNC(=O)C=4SC(NC(C(C)C)=O)=NC4)=O)C=C2
Molecular Formula
C30H31N5O5S2
Molecular Weight
605.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CAS Number2834739-51-2
PubChem CID162369728
IUPAC NameN-[2-[benzyl-[4-(phenylsulfamoyl)benzoyl]amino]ethyl]-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
Molecular FormulaC30H31N5O5S2
Molecular Weight605.7
XLogP4.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count42
Formal Charge0
Complexity1000
SMILES
CC(C)C(=O)NC1=NC=C(S1)C(=O)NCCN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4
InChI
InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36)
InChIKey
YVPYJSSYGACUSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CAS: 2834739-51-2
CID: 162369728
Formula: C30H31N5O5S2
MW: 605.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.7
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass605.17666145
Monoisotopic Mass605.17666145
Topological Polar Surface Area174 Ų
Heavy Atom Count42
Formal Charge0
Complexity1000
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

Alternative Products

CatalogName
BA4228-5TH470

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