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Actein

CAT: 0013-GTR19167480-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19167480-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Actein is a research compound that stimulates osteoblast activity and protects against oxidative damage, showing potential for osteoporosis research. It also exhibits anti-proliferative effects in breast cancer cell studies by modulating calcium signaling and pathways like NF-κB and MEK.
CAS Number
18642-44-9
Product Name Alternative
Sodium Channel, PKB, Protein kinase B, TNF-α, Potassium Channel, CYP17, Apoptosis, ATPase, Autophagy, cAMP, Actein, Akt, Inhibitor, MEK, p53, inhibit, JNK, NF-κB
Field of Research
Cell Biology, Immunology & Inflammation, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2.5 mg/mL (3.69 mM) ; DMSO:60 mg/mL (88.65 mM)
Smiles
[H][C@]12C[C@@]3 (C) [C@]4 ([H]) CC[C@]5 ([H]) [C@]6 (C[C@@]46C[C@@H] (OC (C) =O) [C@]3 (C) [C@@]1 ([H]) [C@H] (C) C[C@]1 (O[C@H] (O) [C@@]3 (C) O[C@@H]13) O2) CC[C@H] (O[C@]1 ([H]) OC[C@@H] (O) [C@H] (O) [C@H]1O) C5 (C) C
Molecular Formula
C37H56O11
Molecular Weight
676.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Actein

Actein is a triterpenoid. It has a role as a metabolite.

CAS Number18642-44-9
PubChem CID10032468
IUPAC Name[(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
Molecular FormulaC37H56O11
Molecular Weight676.8
XLogP3.3
Topological Polar Surface Area157
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count48
Formal Charge0
Complexity1390
SMILES
C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
InChI
InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
InChIKey
NEWMWGLPJQHSSQ-PSDKAYTQSA-N
Chemical Structure
2D Structure
2D structure of Actein
CAS: 18642-44-9
CID: 10032468
Formula: C37H56O11
MW: 676.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight676.8
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass676.38226260
Monoisotopic Mass676.38226260
Topological Polar Surface Area157 Ų
Heavy Atom Count48
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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