Products for Research Use Only
RegisterLogin

Etarotene

CAT: 0804-HY-19590-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-19590-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Etarotene (Ro 15-1570) is a derivative of Arotinoid. Etarotene is an orally active antitumor agent against DMBA (HY-W011845) -induced mammary tumor and causes toxic symptoms of hypervitaminosis A in rat model[1].
CAS Number
87719-32-2
Product Name Alternative
Ro 15-1570
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/etarotene.html
Smiles
CC1(C)CCC(C)(C)C2=C1C=C(/C(C)=C/C3=CC=C(S(=O)(CC)=O)C=C3)C=C2
Molecular Formula
C25H32O2S
Molecular Weight
396.59
References & Citations
[1]Hartmann HR, et al., The effects of arotinoids on rat mammary carcinogenesis. Cancer Chemother Pharmacol. 1985;15 (2) :141-3.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Etarotene

Etarotene is a small molecule drug. The usage of the INN stem '-arotene' in the name indicates that Etarotene is a arotinoid derivative. Etarotene has a monoisotopic molecular weight of 396.21 Da.

CAS Number87719-32-2
PubChem CID6435463
IUPAC Name6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Molecular FormulaC25H32O2S
Molecular Weight396.6
XLogP7.5
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity672
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C25H32O2S/c1-7-28(26,27)21-11-8-19(9-12-21)16-18(2)20-10-13-22-23(17-20)25(5,6)15-14-24(22,3)4/h8-13,16-17H,7,14-15H2,1-6H3/b18-16+
InChIKey
UDAZCXVIYSIEFX-FBMGVBCBSA-N
Chemical Structure
2D Structure
2D structure of Etarotene
CAS: 87719-32-2
CID: 6435463
Formula: C25H32O2S
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP37.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass396.21230143
Monoisotopic Mass396.21230143
Topological Polar Surface Area42.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775123Etarotene

Popular Products