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LMDP10

CAT: 0013-GTR19272930-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272930-02Size:50 mg
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Description
LMDP10 is an orally active 3-aminoquinazoline derivative that activates the Keap1-Nrf2 pathway. It binds to Keap1, inhibiting the Keap1-Nrf2 interaction and subsequently activating the Nrf2 pathway. This leads to increased levels of Nrf2, SOD, and GSH, while reducing MDA and TNF-α levels. As a result, LMDP10 alleviates neurodegeneration and improves memory in Alzheimer's disease (AD) rat models. LMDP10 is applicable for Alzheimer's disease (AD) research.
CAS Number
2760446-25-9
Smiles
O=C (NN1C (=O) C=2C=CC=CC2N=C1CN (C3=CC=C (F) C=C3) C (=O) C=4C=CC=CC4) C=5C=CC=CC5
Molecular Formula
C29H21FN4O3
Molecular Weight
492.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[(N-benzoyl-4-fluoroanilino)methyl]-4-oxoquinazolin-3-yl]benzamide
CAS Number2760446-25-9
PubChem CID178421034
IUPAC NameN-[2-[(N-benzoyl-4-fluoroanilino)methyl]-4-oxoquinazolin-3-yl]benzamide
Molecular FormulaC29H21FN4O3
Molecular Weight492.5
XLogP4.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity859
SMILES
C1=CC=C(C=C1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)CN(C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H21FN4O3/c30-22-15-17-23(18-16-22)33(28(36)21-11-5-2-6-12-21)19-26-31-25-14-8-7-13-24(25)29(37)34(26)32-27(35)20-9-3-1-4-10-20/h1-18H,19H2,(H,32,35)
InChIKey
BXEOGVYDILYVAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[(N-benzoyl-4-fluoroanilino)methyl]-4-oxoquinazolin-3-yl]benzamide
CAS: 2760446-25-9
CID: 178421034
Formula: C29H21FN4O3
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass492.15976871
Monoisotopic Mass492.15976871
Topological Polar Surface Area82.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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