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Angoline hydrochloride

CAT: 0931-T75672-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75672-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1071676-04-4
Target
STAT, IL Receptor
Related Pathways
JAK/STAT signaling, Immunology/Inflammation, Stem Cells
Purity
0.986
Bioactivity
Angoline hydrochloride (6-Methoxyldihydrochelerythrine) is an IL-6/STAT3 signaling pathway inhibitor isolated from Zanthoxylum nitidum with anticancer activity and inhibits STAT3 signaling.
Smiles
Cl.O(C=1C=CC=2C3=CC=C4C=C5OCOC5=CC4=C3N(C)C(OC)C2C1OC)C
Molecular Formula
C22H22ClNO5
Molecular Weight
415.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Angoline hydrochloride
CAS Number1071676-04-4
PubChem CID162642249
IUPAC Name1,2,13-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine;hydrochloride
Molecular FormulaC22H22ClNO5
Molecular Weight415.9
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity561
SMILES
CN1C(C2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC.Cl
InChI
InChI=1S/C22H21NO5.ClH/c1-23-20-14(6-5-12-9-17-18(10-15(12)20)28-11-27-17)13-7-8-16(24-2)21(25-3)19(13)22(23)26-4;/h5-10,22H,11H2,1-4H3;1H
InChIKey
IHTYZEWKBYYBBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Angoline hydrochloride
CAS: 1071676-04-4
CID: 162642249
Formula: C22H22ClNO5
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass415.1186505
Monoisotopic Mass415.1186505
Topological Polar Surface Area49.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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