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KB 5666

CAT: 0013-GTR19200143-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200143-02Size:50 mg
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Description
KB 5666 is a quinazoline-based small molecule that inhibits lipid peroxidation. It has demonstrated neuroprotective effects in experimental models of cerebral ischemia, preserving both cellular integrity and neurological function in relevant in vivo and in vitro research studies.
CAS Number
131916-69-3
Field of Research
Metabolism Research
Smiles
C (=C/C (O) =O) \C (O) =O.O (CCCCC) C1=NC (=NC2=C1C=CC=C2) N3CCN (CC=C) CC3
Molecular Formula
C24H32N4O5
Molecular Weight
456.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinazoline, 4-(pentyloxy)-2-(4-(2-propen-1-yl)-1-piperazinyl)-, (2E)-2-butenedioate (1:1)

structure given in first source

CAS Number131916-69-3
PubChem CID6439323
IUPAC Name(E)-but-2-enedioic acid;4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Molecular FormulaC24H32N4O5
Molecular Weight456.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity516
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C20H28N4O.C4H4O4/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24;5-3(6)1-2-4(7)8/h4,6-7,9-10H,2-3,5,8,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
SGDNWFHKGDZSEZ-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of Quinazoline, 4-(pentyloxy)-2-(4-(2-propen-1-yl)-1-piperazinyl)-, (2E)-2-butenedioate (1:1)
CAS: 131916-69-3
CID: 6439323
Formula: C24H32N4O5
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass456.23727013
Monoisotopic Mass456.23727013
Topological Polar Surface Area116 Ų
Heavy Atom Count33
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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