Products for Research Use Only

Neferine

CAT: 0013-GTR19168884-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168884-06Size:100 mg
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Description
Neferine
CAS Number
2292-16-2
Product Name Alternative
(R) -1,2-Dimethoxyaporphine, (-) -Neferine, 1,2-Dimethoxyaporphine, Apoptosis, Autophagy, Inhibitor, Nuclear factor-κB, Nuclear factor-kappaB, NF-kB, NFkB, NF-κB, NFκB, Neferine, inhibit
Field of Research
Cell Biology, Signal Transduction
Purity
98.81% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.2 mM) ; DMSO:240 mg/mL (384.14 mM)
Smiles
COc1ccc (C[C@H]2N (C) CCc3cc (OC) c (Oc4cc (C[C@@H]5N (C) CCc6cc (OC) c (OC) cc56) ccc4O) cc23) cc1
Molecular Formula
C38H44N2O6
Molecular Weight
624.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neferine

Neferine is a member of isoquinolines.

CAS Number2292-16-2
PubChem CID159654
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
Molecular FormulaC38H44N2O6
Molecular Weight624.8
XLogP6.7
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity933
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC
InChI
InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey
MIBATSHDJRIUJK-ROJLCIKYSA-N
Chemical Structure
2D Structure
2D structure of Neferine
CAS: 2292-16-2
CID: 159654
Formula: C38H44N2O6
MW: 624.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight624.8
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass624.31993713
Monoisotopic Mass624.31993713
Topological Polar Surface Area72.9 Ų
Heavy Atom Count46
Formal Charge0
Complexity933
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes