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Alicapistat

CAT: 0607-BA8287-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA8287-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1254698-46-8
Form
A solid
Molecular Formula
C25H27N3O4
Molecular Weight
433.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Alicapistat

selective inhibitor of human calpains 1 and 2

CAS Number1254698-46-8
PubChem CID67095330
IUPAC Name(2R)-1-benzyl-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC25H27N3O4
Molecular Weight433.5
XLogP2.4
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity708
SMILES
C1CC(=O)N([C@H]1C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)NC3CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H27N3O4/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31)/t20?,21-/m1/s1
InChIKey
MMLDHJRGTZHNHV-BPGUCPLFSA-N
Chemical Structure
2D Structure
2D structure of Alicapistat
CAS: 1254698-46-8
CID: 67095330
Formula: C25H27N3O4
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass433.20015635
Monoisotopic Mass433.20015635
Topological Polar Surface Area95.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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