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9-PAHSA-d9

CAT: 0804-HY-144026SSize: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-144026SSize:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
9-PAHSA-d9 is the deuterium labeled 9-PAHSA. 9-PAHSA, an endogenous fatty acid, reduces blood glucose levels and attenuates inflammation[1].
CAS Number
1809222-43-2
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H331-H336-H351-H361-H372
Target
Biochemical Assay Reagents
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCCCC(OC(CCCCCCCCC)CCCCCCCC(O)=O)=O
Molecular Formula
C34H57D9O4
Molecular Weight
547.94
Precautions
P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Wang YM, et al. 9-PAHSA Improves Cardiovascular Complications by Promoting Autophagic Flux and Reducing Myocardial Hypertrophy in Db/Db Mice [published correction appears in Front Pharmacol. 2022 Jan 03;12:827490]. Front Pharmacol. 2021;12:754387. Published 2021 Nov 15.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

9-PAHSA-d9
CAS Number1809222-43-2
PubChem CID136212665
IUPAC Name9-(13,13,14,14,15,15,16,16,16-nonadeuteriohexadecanoyloxy)octadecanoic acid
Molecular FormulaC34H66O4
Molecular Weight547.9
XLogP14.2
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count32
Heavy Atom Count38
Formal Charge0
Complexity505
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O
InChI
InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)/i1D3,3D2,5D2,7D2
InChIKey
MHQWHZLXDBVXML-NPNXCVMYSA-N
Chemical Structure
2D Structure
2D structure of 9-PAHSA-d9
CAS: 1809222-43-2
CID: 136212665
Formula: C34H66O4
MW: 547.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.9
XLogP314.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count32
Exact Mass547.55260130
Monoisotopic Mass547.55260130
Topological Polar Surface Area63.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity505
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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