Actein

CAT: 0013-GTR19167480-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19167480-05Size:25 mg

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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 Number	18642-44-9
PubChem CID	10032468
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 Formula	C37H56O11
Molecular Weight	676.8
XLogP	3.3
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Heavy Atom Count	48
Formal Charge	0
Complexity	1390

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

CAS: 18642-44-9

CID: 10032468

Formula: C37H56O11

MW: 676.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	676.8
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	676.38226260
Monoisotopic Mass	676.38226260
Topological Polar Surface Area	157 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1390
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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