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Madindoline B

CAT: 0013-GTR19255858-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255858-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Madindoline B is an IL-6 inhibitor. It suppresses IL-6 dependent MH-60 cells without affecting IL-6 independent MH-60 cells. In the presence of 0.1 U/mL IL-6, it inhibits IL-6 dependent MH-60 cells with an IC50 of 30 μM. Madindoline B does not exhibit antibacterial activity.
CAS Number
184877-65-4
Field of Research
Immunology & Inflammation
Smiles
C (N1[C@@]2 ([C@] (O) (C=3C1=CC=CC3) CCO2) [H]) [C@]4 (C) C (=O) C (CCCC) =C (C) C4=O
Molecular Formula
C22H27NO4
Molecular Weight
369.454
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Madindoline B
CAS Number184877-65-4
PubChem CID10981485
IUPAC Name(2S)-2-[[(3aS,8bR)-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione
Molecular FormulaC22H27NO4
Molecular Weight369.5
XLogP3.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity686
SMILES
CCCCC1=C(C(=O)[C@](C1=O)(C)CN2[C@@H]3[C@@](CCO3)(C4=CC=CC=C42)O)C
InChI
InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21-,22+/m0/s1
InChIKey
XPVQXXLKOCZMGG-FDFHNCONSA-N
Chemical Structure
2D Structure
2D structure of Madindoline B
CAS: 184877-65-4
CID: 10981485
Formula: C22H27NO4
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass369.19400834
Monoisotopic Mass369.19400834
Topological Polar Surface Area66.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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