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ROCK-IN-5

CAT: 0804-HY-153011-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153011-01Size:5 mg
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Description
ROCK-IN-5 (compound I-B-37) is a potent inhibitor of ROCK, ERK, GSK, and AGC protein kinases. ROCK-IN-5 has the potential for proliferative, cardiac and neurodegenerative diseases research[1].
CAS Number
692870-25-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
ERK; GSK-3; ROCK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton; MAPK/ERK Pathway; PI3K/Akt/mTOR; Stem Cell/Wnt; TGF-beta/Smad
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/rock-in-5.html
Purity
98.0
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
O=C(NC1=NC(C2=CC=NC=C2)=CS1)CC3=C(F)C=CC=C3Cl
Molecular Formula
C16H11ClFN3OS
Molecular Weight
347.79
Precautions
H302, H315, H319
References & Citations
[1]Jingrong Cao, et al. Compositions useful as inhibitors of rock and other protein kinases. WO2004041813A1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(2-chloro-6-fluorophenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CAS Number692870-25-0
PubChem CID4826233
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.8
XLogP3.4
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity411
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)NC2=NC(=CS2)C3=CC=NC=C3)F
InChI
InChI=1S/C16H11ClFN3OS/c17-12-2-1-3-13(18)11(12)8-15(22)21-16-20-14(9-23-16)10-4-6-19-7-5-10/h1-7,9H,8H2,(H,20,21,22)
InChIKey
BPGUVXHQHDKSTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-chloro-6-fluorophenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CAS: 692870-25-0
CID: 4826233
Formula: C16H11ClFN3OS
MW: 347.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass347.0295390
Monoisotopic Mass347.0295390
Topological Polar Surface Area83.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
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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