DSO-5a

CAT: 0931-T79231-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T79231-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2195411-63-1

Target

PPAR, ERK, Bombesin Receptor

Related Pathways

MAPK, DNA Damage/DNA Repair, GPCR/G Protein, Metabolism

Bioactivity

DSO-5a, a potent and selective orally active BB3 agonist, is a DMAKO-00 derivative that enhances ppar-γ activity via BB3 and stimulates ERK1/2 phosphorylation. It is utilized in diabetes-related research [1].

Smiles

COC1=C(C(C(C)(C=C)C)OC(C2=CC=CO2)=O)C=C(OC)C3=C1/C(C=C/C3=N/O)=N/O

Molecular Formula

C23H24N2O7

Molecular Weight

440.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Dimethyl Shikonin Oxime 5a

CAS Number	2195411-63-1
PubChem CID	132427043
IUPAC Name	[1-[5-(hydroxyamino)-1,4-dimethoxy-8-nitrosonaphthalen-2-yl]-2,2-dimethylbut-3-enyl] furan-2-carboxylate
Molecular Formula	C23H24N2O7
Molecular Weight	440.4
XLogP	4.7
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	32
Formal Charge	0
Complexity	673

SMILES

CC(C)(C=C)C(C1=C(C2=C(C=CC(=C2C(=C1)OC)NO)N=O)OC)OC(=O)C3=CC=CO3

InChI

InChI=1S/C23H24N2O7/c1-6-23(2,3)21(32-22(26)16-8-7-11-31-16)13-12-17(29-4)18-14(24-27)9-10-15(25-28)19(18)20(13)30-5/h6-12,21,24,27H,1H2,2-5H3

InChIKey

WUXGQZUWKGBOKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2195411-63-1

CID: 132427043

Formula: C23H24N2O7

MW: 440.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	440.4
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	440.15835111
Monoisotopic Mass	440.15835111
Topological Polar Surface Area	120 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	673
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DSO-5a

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