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SW033291

CAT: 0957-S7900-03Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7900-03Size:25 mg
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Description
SW033291 is a selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-PGDH) with IC50 and Ki of 1.5 nM and 0.1 nM, respectively.
CAS Number
459147-39-8
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C21H20N2OS3
Storage Conditions
2 years -80 in solvent

Chemical Information

2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine

SW033291 is a small molecule 15-hydroxyprostaglandin dehydrogenase (15-PGDH) inhibitor. It has been found to increase prostaglandin E2 (PGE2) and is being investigated in accelerating of hematopoietic recovery and treating type 2 diabetes mellitus.

CAS Number459147-39-8
PubChem CID3337839
IUPAC Name2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
Molecular FormulaC21H20N2OS3
Molecular Weight412.6
XLogP5.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity514
SMILES
CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N
InChI
InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3
InChIKey
LCYAYKSMOVLVRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Butane-1-sulfinyl)-4-phenyl-6-(thiophen-2-yl)thieno(2,3-b)pyridin-3-amine
CAS: 459147-39-8
CID: 3337839
Formula: C21H20N2OS3
MW: 412.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight412.6
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass412.07377679
Monoisotopic Mass412.07377679
Topological Polar Surface Area132 Ų
Heavy Atom Count27
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes