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NA-184

CAT: 0013-GTR19234941-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234941-01Size:50 mg
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Description
NA-184 is a selective calpain-2 inhibitor that demonstrates neuroprotective efficacy in traumatic brain injury (TBI) models, exhibiting an EC50 of 0.13 mg/kg in vivo. This small molecule is a valuable research tool for investigating calpain-2's role in neuronal cell death and neuropathology.
CAS Number
2688119-39-1
Field of Research
Protein Biochemistry
Smiles
C (NC (C (C (NC ([C@@H] (NC (NCC1=CC=CC=C1) =O) CC (C) C) =O) CC) =O) =O) C2=C (OC) C (Cl) =CC=C2
Molecular Formula
C27H35ClN4O5
Molecular Weight
531.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-(benzylcarbamoylamino)-N-[1-[(3-chloro-2-methoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CAS Number2688119-39-1
PubChem CID156831649
IUPAC Name(2S)-2-(benzylcarbamoylamino)-N-[1-[(3-chloro-2-methoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
Molecular FormulaC27H35ClN4O5
Molecular Weight531.0
XLogP4.2
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity759
SMILES
CCC(C(=O)C(=O)NCC1=C(C(=CC=C1)Cl)OC)NC(=O)[C@H](CC(C)C)NC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C27H35ClN4O5/c1-5-21(23(33)26(35)29-16-19-12-9-13-20(28)24(19)37-4)31-25(34)22(14-17(2)3)32-27(36)30-15-18-10-7-6-8-11-18/h6-13,17,21-22H,5,14-16H2,1-4H3,(H,29,35)(H,31,34)(H2,30,32,36)/t21?,22-/m0/s1
InChIKey
QTTIYJOYAUFSKQ-KEKNWZKVSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-(benzylcarbamoylamino)-N-[1-[(3-chloro-2-methoxyphenyl)methylamino]-1,2-dioxopentan-3-yl]-4-methylpentanamide
CAS: 2688119-39-1
CID: 156831649
Formula: C27H35ClN4O5
MW: 531.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight531.0
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass530.2295979
Monoisotopic Mass530.2295979
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity759
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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