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THK01

CAT: 0804-HY-149266-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149266-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
THK01 is a potent ROCK2 inhibitor with IC50 values of 5.7 and 923 nM for ROCK2 and ROCK1, respectively. THK01 inhibits breast cancer metastasis through the ROCK2-STAT3 signaling pathway. THK01 can be used in research of breast cancer[1].
CAS Number
2226941-26-8
UNSPSC
12352005
Hazard Statement
H302, H319
Target
ROCK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; Stem Cell/Wnt; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/thk01.html
Purity
99.80
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C1NCC2=C3C4=C(NC3=C5NC6=C(C5=C12)C=C(C=C6)O)C=CC=C4
Molecular Formula
C20H13N3O2
Molecular Weight
327.34
Precautions
H302, H319
References & Citations
[1]Wang J, et, al. Discovery of unglycosylated indolocarbazoles as ROCK2 isoform-selective inhibitors for the treatment of breast cancer metastasis. Eur J Med Chem. 2023 Mar 15;250:115181.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ROCK1; ROCK2

Chemical Information

3-hydroxy-K252c

3-hydroxy-K252c is an indolocarbazole.

CAS Number2226941-26-8
PubChem CID139589939
IUPAC Name7-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one
Molecular FormulaC20H13N3O2
Molecular Weight327.3
XLogP3.3
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity583
SMILES
C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=C(N5)C=CC(=C6)O
InChI
InChI=1S/C20H13N3O2/c24-9-5-6-14-11(7-9)16-17-12(8-21-20(17)25)15-10-3-1-2-4-13(10)22-18(15)19(16)23-14/h1-7,22-24H,8H2,(H,21,25)
InChIKey
GXZFDXZCJALHRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-hydroxy-K252c
CAS: 2226941-26-8
CID: 139589939
Formula: C20H13N3O2
MW: 327.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.3
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass327.100776666
Monoisotopic Mass327.100776666
Topological Polar Surface Area80.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity583
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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