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Anticancer agent 7

CAT: 0804-HY-W072940-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W072940-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anticancer agent 7 (Example 5) modulates PP2A, and induces FOXOl transcription factor translocation to the nucleus. Anticancer agent 7 inhibits the proliferation of H1650 lung cancer cell with an IC50 of 5 μM[1].
CAS Number
2088956-21-0
UNSPSC
12352005
Target
FOXO; 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-7.html
Purity
99.26
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@@H]1[C@@](COC[C@H]1NS(=O)(C2=CC=C(C=C2)OC(F)(F)F)=O)([H])N3C4=CC=C(Cl)C=C4C5=CC(Cl)=CC=C53
Molecular Formula
C24H19Cl2F3N2O5S
Molecular Weight
575.38
References & Citations
[1]Michael Ohlmeyer, et al. Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents. WO2017044569A1.
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

Anticancer agent 7
CAS Number2088956-21-0
PubChem CID126694105
IUPAC NameN-[(3R,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
Molecular FormulaC24H19Cl2F3N2O5S
Molecular Weight575.4
XLogP5.5
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity876
SMILES
C1[C@H]([C@@H]([C@H](CO1)N2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C24H19Cl2F3N2O5S/c25-13-1-7-20-17(9-13)18-10-14(26)2-8-21(18)31(20)22-12-35-11-19(23(22)32)30-37(33,34)16-5-3-15(4-6-16)36-24(27,28)29/h1-10,19,22-23,30,32H,11-12H2/t19-,22+,23+/m1/s1
InChIKey
XXCAYCBBVUGGDY-OIBXWCBGSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 7
CAS: 2088956-21-0
CID: 126694105
Formula: C24H19Cl2F3N2O5S
MW: 575.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass574.0343828
Monoisotopic Mass574.0343828
Topological Polar Surface Area98.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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