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PPARγ/δ modulator 2

CAT: 0013-GTR19250272-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250272-01Size:25 mg
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Description
Compound 3h is a dual PPARγ/δ modulator, acting as a PPARγ agonist (Ki=2.8 μM) and a PPARδ antagonist (Ki=43 nM) . It promotes adipogenic differentiation and increases adiponectin secretion in hBM-MSCs, making it a useful research tool for studying metabolic disorders associated with low adiponectin levels.
CAS Number
3116771-70-8
Field of Research
Metabolism Research, Molecular Biology
Smiles
C1[C@@H] (C ([C@@H] ([Se]1) CN2C=NC3=C (N=C (N=C32) Cl) NCC4=CC (=CC=C4) I) O) O
Molecular Formula
C17H17ClIN5O2Se
Molecular Weight
564.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PPAR|A/|A modulator 2
CAS Number3116771-70-8
PubChem CID172677034
IUPAC Name(2S,4R)-2-[[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]methyl]selenolane-3,4-diol
Molecular FormulaC17H17ClIN5O2Se
Molecular Weight564.7
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity512
SMILES
C1[C@@H](C([C@@H]([Se]1)CN2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O
InChI
InChI=1S/C17H17ClIN5O2Se/c18-17-22-15(20-5-9-2-1-3-10(19)4-9)13-16(23-17)24(8-21-13)6-12-14(26)11(25)7-27-12/h1-4,8,11-12,14,25-26H,5-7H2,(H,20,22,23)/t11-,12-,14?/m0/s1
InChIKey
KRUDFYPGGOUDIB-VHBIQUBJSA-N
Chemical Structure
2D Structure
2D structure of PPAR|A/|A modulator 2
CAS: 3116771-70-8
CID: 172677034
Formula: C17H17ClIN5O2Se
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass564.92807
Monoisotopic Mass564.92807
Topological Polar Surface Area96.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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