Products for Research Use Only
RegisterLogin

WS3

CAT: 0804-HY-12462-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-12462-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
WS3 is a novel proliferative molecule that promotes pancreatic β cell proliferation in rodent and human primary islets. WS3 can be used for the research of type 1 diabetes[1].
CAS Number
1421227-52-2
UNSPSC
12352005
Hazard Statement
H302, H315, H320, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/WS3.html
Purity
98.70
Solubility
DMSO : 2.2 mg/mL (ultrasonic)
Smiles
CN1CCN(CC1)CC2=C(C=C(C=C2)NC(NC3=CC=C(C=C3)OC4=CC(NC(C5CC5)=O)=NC=N4)=O)C(F)(F)F
Molecular Formula
C28H30F3N7O3
Molecular Weight
569.58
Precautions
H302, H315, H320, H335
References & Citations
[1]Shen W, et al. Small-molecule inducer of β cell proliferation identified by high-throughput screening. J Am Chem Soc. 2013 Feb 6;135 (5) :1669-72.|[2]Jonathan G Swoboda, et al. Small molecule mediated proliferation of primary retinal pigment epithelial cells. ACS Chem Biol. 2013 Jul 19;8 (7) :1407-11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide
CAS Number1421227-52-2
PubChem CID72551586
IUPAC NameN-[6-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
Molecular FormulaC28H30F3N7O3
Molecular Weight569.6
XLogP3.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity876
SMILES
CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F
InChI
InChI=1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39)
InChIKey
KIKOYRNAERIVSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-{4-[({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)amino]phenoxy}pyrimidin-4-yl)cyclopropanecarboxamide
CAS: 1421227-52-2
CID: 72551586
Formula: C28H30F3N7O3
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass569.23622233
Monoisotopic Mass569.23622233
Topological Polar Surface Area112 Ų
Heavy Atom Count41
Formal Charge0
Complexity876
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
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products