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Aloxistatin (E64d)

CAT: 1568-C12657-06Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C12657-06Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
88321-09-9
Synonyms
E-64d
SKU
C12657-2mg
Target
Cysteine Protease
Applications
Proteases
Smiles
CCOC (=O) C1C (O1) C (=O) NC (CC (C) C) C (=O) NCCC (C) C
Molecular Formula
C17H30N2O5
Additionnal Information
Aloxistatin (E64d) is an irreversible and membrane-permeable cysteine protease inhibitor with blood platelet aggregation inhibiting activity. The cysteine protease cathepsin L is required for SARS-CoV-2 viral entry, and aloxistatin treatment reduced cellular entry of SARS-CoV-2 pseudovirions by 92.3%.
Storage Conditions
2 years -80 in solvent

Chemical Information

Aloxistatin

Aloxistatin is an L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. It has a role as an anticoronaviral agent and a cathepsin B inhibitor. It is an ethyl ester, a L-leucine derivative, a monocarboxylic acid amide and an epoxide.

CAS Number88321-09-9
PubChem CID65663
IUPAC Nameethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
Molecular FormulaC17H30N2O5
Molecular Weight342.4
XLogP2.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity450
SMILES
CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChI
InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
InChIKey
SRVFFFJZQVENJC-IHRRRGAJSA-N
Chemical Structure
2D Structure
2D structure of Aloxistatin
CAS: 88321-09-9
CID: 65663
Formula: C17H30N2O5
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass342.21547206
Monoisotopic Mass342.21547206
Topological Polar Surface Area97 Ų
Heavy Atom Count24
Formal Charge0
Complexity450
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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