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Pregnenolone acetate

CAT: 0804-HY-B1740-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B1740-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pregnenolone acetate (compound #43), a nonmetabolized Pregnenolone analog, can promote neurite extension and induce a change in growth cone morphology in primary cultures of cerebellar granule neurons. Pregnenolone acetate, a neurosteroid, increases microtubule polymerization. Pregnenolone acetate has the potential for neurodevelopmental diseases research[1].
CAS Number
1778-02-5
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Microtubule/Tubulin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/pregnenolone-acetate.html
Purity
98.40
Solubility
DMSO : 8 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
C[C@@]12[C@](CC[C@@H]2C(C)=O)([H])[C@@]3([H])[C@]([C@@]4(C(C[C@H](CC4)OC(C)=O)=CC3)C)([H])CC1
Molecular Formula
C23H34O3
Molecular Weight
358.51
Precautions
H302, H315, H319, H335
References & Citations
[1]Viktoryia Kolas, et al. A synthetic pregnenolone analog promotes microtubule dynamics and neural development. Cell Biosci. 2022 Dec 1;12 (1) :190.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pregnenolone Acetate

Pregnenolone acetate is a steroid ester.

CAS Number1778-02-5
PubChem CID2723722
IUPAC Name[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC23H34O3
Molecular Weight358.5
XLogP4.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity650
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI
InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey
CRRKVZVYZQXICQ-RJJCNJEVSA-N
Chemical Structure
2D Structure
2D structure of Pregnenolone Acetate
CAS: 1778-02-5
CID: 2723722
Formula: C23H34O3
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass358.25079494
Monoisotopic Mass358.25079494
Topological Polar Surface Area43.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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