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PF-1185A

CAT: 0013-GTR19193139-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193139-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-1185A is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for investigating cellular pathways and has been employed in both in vitro assays and in vivo preclinical studies to explore its mechanisms of action.
CAS Number
339076-07-2
Smiles
O=C1C=2C (=C (C=CC2) C=3C=C4C (=C (OC) C3) OCO4) CC5 (N1CC (CC6=CC=CC=C6) N (C (C) =O) C5) [H]
Molecular Formula
C29H28N2O5
Molecular Weight
484.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6H-Pyrazino(1,2-b)isoquinolin-6-one, 2-acetyl-1,2,3,4,11,11a-hexahydro-10-(7-methoxy-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-, (-)-
CAS Number339076-07-2
PubChem CID76967592
IUPAC Name2-acetyl-3-benzyl-10-(7-methoxy-1,3-benzodioxol-5-yl)-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-6-one
Molecular FormulaC29H28N2O5
Molecular Weight484.5
XLogP4.2
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity815
SMILES
CC(=O)N1CC2CC3=C(C=CC=C3C(=O)N2CC1CC4=CC=CC=C4)C5=CC6=C(C(=C5)OC)OCO6
InChI
InChI=1S/C29H28N2O5/c1-18(32)30-15-22-14-25-23(20-12-26(34-2)28-27(13-20)35-17-36-28)9-6-10-24(25)29(33)31(22)16-21(30)11-19-7-4-3-5-8-19/h3-10,12-13,21-22H,11,14-17H2,1-2H3
InChIKey
MWUGHRBROCNQMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6H-Pyrazino(1,2-b)isoquinolin-6-one, 2-acetyl-1,2,3,4,11,11a-hexahydro-10-(7-methoxy-1,3-benzodioxol-5-yl)-3-(phenylmethyl)-, (-)-
CAS: 339076-07-2
CID: 76967592
Formula: C29H28N2O5
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass484.19982200
Monoisotopic Mass484.19982200
Topological Polar Surface Area68.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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