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AKR1B10-IN-1

CAT: 0013-GTR19189382Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189382Size:5 mg
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Description
AKR1B10-IN-1 is a potent and selective AKR1B10 inhibitor with an IC50 of 3.5 nM. It has been shown in research studies to suppress lung cancer cell proliferation, metastasis, and to overcome cisplatin resistance in vitro, supporting its investigation in oncology and chemoresistance research.
CAS Number
2136579-33-2
Field of Research
Metabolism Research
Smiles
Oc1ccc2cc (C (=O) NCCCc3ccc (F) cc3) c (=O) oc2c1
Molecular Formula
C19H16FNO4
Molecular Weight
341.338
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Akr1B10-IN-1
CAS Number2136579-33-2
PubChem CID137642579
IUPAC NameN-[3-(4-fluorophenyl)propyl]-7-hydroxy-2-oxochromene-3-carboxamide
Molecular FormulaC19H16FNO4
Molecular Weight341.3
XLogP4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity528
SMILES
C1=CC(=CC=C1CCCNC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O)F
InChI
InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23)
InChIKey
YNGXWVIJSUJZSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Akr1B10-IN-1
CAS: 2136579-33-2
CID: 137642579
Formula: C19H16FNO4
MW: 341.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.3
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass341.10633615
Monoisotopic Mass341.10633615
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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