PG 34

CAT: 0931-T63871Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T63871Size:2 mg

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

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CAS Number

1681056-62-1

Target

Others, Transferase

Related Pathways

Metabolism, Others

Bioactivity

PG 34 is a structural analogue of OSMI-1 and a weak inhibitor of O-GlcNAc translocase (OGT) with an IC50 value of 68 μM.

Smiles

[C@@H](C(N(CC1=CC=CO1)CC2=CC=CS2)=O)(NS(=O)(=O)C=3C=C4C(=CC3)NC(=O)C=C4)CC5=CC=CC=C5

Molecular Formula

C28H25N3O5S2

Molecular Weight

547.65

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 118626505

CAS Number	1681056-62-1
PubChem CID	118626505
IUPAC Name	(2R)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
Molecular Formula	C28H25N3O5S2
Molecular Weight	547.6
XLogP	3.6
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	38
Formal Charge	0
Complexity	962

SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N(CC2=CC=CO2)CC3=CC=CS3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)C=C5

InChI

InChI=1S/C28H25N3O5S2/c32-27-13-10-21-17-24(11-12-25(21)29-27)38(34,35)30-26(16-20-6-2-1-3-7-20)28(33)31(18-22-8-4-14-36-22)19-23-9-5-15-37-23/h1-15,17,26,30H,16,18-19H2,(H,29,32)/t26-/m1/s1

InChIKey

ICLUPJSFAFLDLR-AREMUKBSSA-N

Chemical Structure

2D Structure

CAS: 1681056-62-1

CID: 118626505

Formula: C28H25N3O5S2

MW: 547.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	547.6
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	547.12356325
Monoisotopic Mass	547.12356325
Topological Polar Surface Area	145 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	962
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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PG 34

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