Products for Research Use Only
RegisterLogin

Anticancer agent 142

CAT: 0804-HY-156606Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-156606Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Anticancer agent 142 (compound 235) is a PTPN inhibitor, with the potential to study cancer[1].
CAS Number
2948338-60-9
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/anticancer-agent-142.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC2=C(SC(C(F)(P(O)(O)=O)F)=C2Br)C(OCCCS(=O)(N)=O)=C1)N
Molecular Formula
C13H14BrF2N2O7PS2
Molecular Weight
523.26
References & Citations
[1]David A CANDITO, et al. Substituted benzothiophene derivatives and methods of use thereof. Patent WO2023121939A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Anticancer agent 142
CAS Number2948338-60-9
PubChem CID168476189
IUPAC Name[[3-bromo-5-carbamoyl-7-(3-sulfamoylpropoxy)-1-benzothiophen-2-yl]-difluoromethyl]phosphonic acid
Molecular FormulaC13H14BrF2N2O7PS2
Molecular Weight523.3
XLogP0.3
Topological Polar Surface Area207
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity748
SMILES
C1=C(C=C(C2=C1C(=C(S2)C(F)(F)P(=O)(O)O)Br)OCCCS(=O)(=O)N)C(=O)N
InChI
InChI=1S/C13H14BrF2N2O7PS2/c14-9-7-4-6(12(17)19)5-8(25-2-1-3-28(18,23)24)10(7)27-11(9)13(15,16)26(20,21)22/h4-5H,1-3H2,(H2,17,19)(H2,18,23,24)(H2,20,21,22)
InChIKey
PWHDUPBMMZXPOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 142
CAS: 2948338-60-9
CID: 168476189
Formula: C13H14BrF2N2O7PS2
MW: 523.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.3
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass521.91315
Monoisotopic Mass521.91315
Topological Polar Surface Area207 Ų
Heavy Atom Count28
Formal Charge0
Complexity748
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

Related Products

CatalogName
HY-155158Anticancer agent 147
HY-146040Anticancer agent 47
HY-158392Anticancer agent 219
HY-139711Anticancer agent 13
HY-170527Anticancer agent 260
HY-157931Anticancer agent 192
HY-147968Anticancer agent 74
HY-146407Anticancer agent 53
HY-115960Anticancer agent 35
HY-128689Anticancer agent 3

Alternative Products

CatalogName
T210648-01Anticancer agent 274
T210037-01Anticancer agent 239
T210028-01Anticancer agent 221
T209840-01Anticancer agent 213
T209412-01Anticancer agent 189
T209339-01Anticancer agent 196
T209334-01Anticancer agent 195
T206688-01Anticancer agent 270
T206158-01Anticancer agent 268
T205406-01Anticancer agent 266

Popular Products