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EP1013

CAT: 0013-GTR19205931-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205931-03Size:100 mg
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Description
EP1013 is a potent and selective caspase inhibitor utilized in diabetes research. It is employed in both in vitro and in vivo studies to investigate apoptotic pathways in pancreatic β-cells, a key mechanism in type 1 diabetes pathogenesis.
CAS Number
223568-55-6
Field of Research
Cell Biology, Protein Biochemistry
Smiles
[C@@H] (NC ([C@@H] (NC (OCC1=CC=CC=C1) =O) [C@H] (C) C) =O) (C (CF) =O) CC (O) =O
Molecular Formula
C18H23FN2O6
Molecular Weight
382.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid
CAS Number223568-55-6
PubChem CID9907987
IUPAC Name(3S)-5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid
Molecular FormulaC18H23FN2O6
Molecular Weight382.4
XLogP1.8
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13-,16-/m0/s1
InChIKey
LYBWGROBJJXCJJ-BBRMVZONSA-N
Chemical Structure
2D Structure
2D structure of (3S)-5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid
CAS: 223568-55-6
CID: 9907987
Formula: C18H23FN2O6
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass382.15401462
Monoisotopic Mass382.15401462
Topological Polar Surface Area122 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA3391-5.1EP1013
A11212-10EP1013 10mg
A11212-25EP1013 25mg
A11212-5EP1013 5mg
A11212-1EP1013 1mg
A11212-100EP1013 100mg
A11212-50EP1013 50mg

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