Products for Research Use Only

AL-8417

CAT: 0013-GTR19201357-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201357-02Size:50 mg
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Description
AL-8417 is a small molecule enzyme inhibitor with antioxidant, anti-inflammatory, and cytostatic properties. Research indicates its utility in studying ocular pathologies, as it has been shown to suppress posterior lens fiber changes induced by vitrectomy in experimental models.
CAS Number
180472-20-2
Field of Research
Immunology & Inflammation, Neuroscience
Smiles
CC1=C2C (O[C@] (CCOC ([C@@H] (C) C3=CC4=C (C=C3) C=C (OC) C=C4) =O) (C) CC2) =C (C) C (C) =C1O
Molecular Formula
C29H34O5
Molecular Weight
462.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester, (alphaS)-
CAS Number180472-20-2
PubChem CID9934059
IUPAC Name2-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Molecular FormulaC29H34O5
Molecular Weight462.6
XLogP6.9
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity696
SMILES
CC1=C(C2=C(CC[C@](O2)(C)CCOC(=O)[C@@H](C)C3=CC4=C(C=C3)C=C(C=C4)OC)C(=C1O)C)C
InChI
InChI=1S/C29H34O5/c1-17-18(2)27-25(20(4)26(17)30)11-12-29(5,34-27)13-14-33-28(31)19(3)21-7-8-23-16-24(32-6)10-9-22(23)15-21/h7-10,15-16,19,30H,11-14H2,1-6H3/t19-,29+/m0/s1
InChIKey
KYECYAFVFZRXIM-ADXZGYQBSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester, (alphaS)-
CAS: 180472-20-2
CID: 9934059
Formula: C29H34O5
MW: 462.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight462.6
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass462.24062418
Monoisotopic Mass462.24062418
Topological Polar Surface Area65 Ų
Heavy Atom Count34
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes