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CAY10406

CAT: 0013-GTR19192168-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192168-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10406 is a selective trifluoromethyl-isatin sulfonamide inhibitor of effector caspases 3 and 7, key proteases in apoptosis execution. This compound is a valuable research tool for studying apoptotic pathways in both cellular and biochemical assays.
CAS Number
2108603-03-6
Field of Research
Cell Biology, Protein Biochemistry
Smiles
C (N1C=2C (=CC (S (=O) (=O) N3[C@H] (COC4=CC=C (C (F) (F) F) C=C4) CCC3) =CC2) C (=O) C1=O) C5=CC=CC=C5
Molecular Formula
C27H23F3N2O5S
Molecular Weight
544.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-1-benzyl-5-(1-[2-(phenoxy-p-trifluoromethyl)-pyrrolidynyl]-sulfonyl)-isatin
CAS Number2108603-03-6
PubChem CID95065678
IUPAC Name1-benzyl-5-[(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]sulfonylindole-2,3-dione
Molecular FormulaC27H23F3N2O5S
Molecular Weight544.5
XLogP4.6
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity970
SMILES
C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=CC=C4)COC5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C27H23F3N2O5S/c28-27(29,30)19-8-10-21(11-9-19)37-17-20-7-4-14-32(20)38(35,36)22-12-13-24-23(15-22)25(33)26(34)31(24)16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14,16-17H2/t20-/m0/s1
InChIKey
SNBVQFYPQBMLQY-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-benzyl-5-(1-[2-(phenoxy-p-trifluoromethyl)-pyrrolidynyl]-sulfonyl)-isatin
CAS: 2108603-03-6
CID: 95065678
Formula: C27H23F3N2O5S
MW: 544.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass544.12797750
Monoisotopic Mass544.12797750
Topological Polar Surface Area92.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity970
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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