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NK3201

CAT: 0013-GTR19196937-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196937-02Size:50 mg
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Description
NK3201 is a potent and selective chymase inhibitor. It has been demonstrated to ameliorate bleomycin-induced pulmonary fibrosis in a hamster model, supporting its use in researching fibrotic diseases both in vivo and in vitro.
CAS Number
204460-24-2
Field of Research
Protein Biochemistry
Smiles
C (C (NC (CC1=CC=CC=C1) C (C (CCCOC2=CC=CC=N2) =O) =O) =O) N3C (=NC=C (NC=O) C3=O) C4=CC=CC=C4
Molecular Formula
C31H29N5O6
Molecular Weight
567.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NK3201

inhibits vascular proliferation in grafted vein

CAS Number204460-24-2
PubChem CID213050
IUPAC NameN-(3,4-dioxo-1-phenyl-7-pyridin-2-yloxyheptan-2-yl)-2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)acetamide
Molecular FormulaC31H29N5O6
Molecular Weight567.6
XLogP2.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity1030
SMILES
C1=CC=C(C=C1)CC(C(=O)C(=O)CCCOC2=CC=CC=N2)NC(=O)CN3C(=NC=C(C3=O)NC=O)C4=CC=CC=C4
InChI
InChI=1S/C31H29N5O6/c37-21-34-25-19-33-30(23-12-5-2-6-13-23)36(31(25)41)20-27(39)35-24(18-22-10-3-1-4-11-22)29(40)26(38)14-9-17-42-28-15-7-8-16-32-28/h1-8,10-13,15-16,19,21,24H,9,14,17-18,20H2,(H,34,37)(H,35,39)
InChIKey
QOANBAXBOLUAFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NK3201
CAS: 204460-24-2
CID: 213050
Formula: C31H29N5O6
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass567.21178366
Monoisotopic Mass567.21178366
Topological Polar Surface Area147 Ų
Heavy Atom Count42
Formal Charge0
Complexity1030
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

Alternative Products

CatalogName
MBS5777870NK3201

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