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AD-9308

CAT: 0013-GTR19275011-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275011-02Size:50 mg
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Description
AD-9308 is a highly selective, orally active ALDH2 activator. By activating ALDH2, it enhances the clearance of 4-HNE and inhibits myocardial fibrosis, inflammation, and apoptosis. AD-9308 improves mitochondrial function, regulates sarcoplasmic/endoplasmic reticulum calcium transport, and modulates autophagy, thereby restoring intracellular homeostasis. It improves diastolic and systolic dysfunction in diabetic mice and reverses adverse ventricular remodeling. AD-9308 is useful for studying diabetic cardiomyopathy.
CAS Number
1804942-56-0
Smiles
C (OC ([C@H] (C (C) C) N) =O) C1=C (N=CC=C1) C2=CC (C (NCC3=CC (F) =C (OC) C=C3) =O) =C (OCC (C) C) C=C2
Molecular Formula
C30H36FN3O5
Molecular Weight
537.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[2-[3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CAS Number1804942-56-0
PubChem CID126647156
IUPAC Name[2-[3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
Molecular FormulaC30H36FN3O5
Molecular Weight537.6
XLogP4.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity769
SMILES
CC(C)COC1=C(C=C(C=C1)C2=C(C=CC=N2)COC(=O)[C@H](C(C)C)N)C(=O)NCC3=CC(=C(C=C3)OC)F
InChI
InChI=1S/C30H36FN3O5/c1-18(2)16-38-25-11-9-21(28-22(7-6-12-33-28)17-39-30(36)27(32)19(3)4)14-23(25)29(35)34-15-20-8-10-26(37-5)24(31)13-20/h6-14,18-19,27H,15-17,32H2,1-5H3,(H,34,35)/t27-/m0/s1
InChIKey
OCBSJBZAJKSJNI-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of [2-[3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]-4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl (2S)-2-amino-3-methylbutanoate
CAS: 1804942-56-0
CID: 126647156
Formula: C30H36FN3O5
MW: 537.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass537.26389942
Monoisotopic Mass537.26389942
Topological Polar Surface Area113 Ų
Heavy Atom Count39
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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