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PNU 2

CAT: 0013-GTR19237157-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237157-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PNU-2 is a small molecule compound investigated for its potential anti-asthmatic properties. It serves as a research tool for studying respiratory pharmacology in both in vitro assays and in vivo animal models of airway hyperresponsiveness and inflammation.
CAS Number
214212-39-2
Product Name Alternative
PNU2
Purity
99.12% (May vary between batches)
Smiles
O=C (N1CCCC1) CN2C3=NC (=NC (=C3C=4C=CC=CC42) N5CCCC5) N6CCCC6
Molecular Formula
C24H30N6O
Molecular Weight
418.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,4-Di-1-pyrrolidinyl-9H-pyrimido(4,5-b)indol-9-yl)-1-(1-pyrrolidinyl)ethanone
CAS Number214212-39-2
PubChem CID9846801
IUPAC Name2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)-1-pyrrolidin-1-ylethanone
Molecular FormulaC24H30N6O
Molecular Weight418.5
XLogP4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity642
SMILES
C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CC(=O)N5CCCC5)N6CCCC6
InChI
InChI=1S/C24H30N6O/c31-20(27-11-3-4-12-27)17-30-19-10-2-1-9-18(19)21-22(28-13-5-6-14-28)25-24(26-23(21)30)29-15-7-8-16-29/h1-2,9-10H,3-8,11-17H2
InChIKey
UZMWVMXNKZSFIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Di-1-pyrrolidinyl-9H-pyrimido(4,5-b)indol-9-yl)-1-(1-pyrrolidinyl)ethanone
CAS: 214212-39-2
CID: 9846801
Formula: C24H30N6O
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass418.24810960
Monoisotopic Mass418.24810960
Topological Polar Surface Area57.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity642
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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