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CD2314

CAT: 0804-HY-108533-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108533-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CD2314 is a potent and selective RARβ receptor agonist with a Kd of 195 nM in S91 melanoma cells[1].
CAS Number
170355-37-0
UNSPSC
12352005
Target
RAR/RXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cd2314.html
Concentration
10mM
Purity
99.84
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
O=C(C1=CSC(C2=CC=C3C=C4C(C)(C)CCC(C)(C)C4=CC3=C2)=C1)O
Molecular Formula
C23H24O2S
Molecular Weight
364.50
References & Citations
[1]Spanjaard RA, et al. Specific activation of retinoic acid receptors (RARs) and retinoid X receptors reveals a unique role for RARgamma in induction of differentiation and apoptosis of S91 melanoma cells. J Biol Chem. 1997 Jul 25;272 (30) :18990-9.
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

CD2314

retinoic acid receptor agonist

CAS Number170355-37-0
PubChem CID15293210
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid
Molecular FormulaC23H24O2S
Molecular Weight364.5
XLogP7.2
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity554
SMILES
CC1(CCC(C2=C1C=C3C=CC(=CC3=C2)C4=CC(=CS4)C(=O)O)(C)C)C
InChI
InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)
InChIKey
URUSABQSUCBGGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CD2314
CAS: 170355-37-0
CID: 15293210
Formula: C23H24O2S
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass364.14970118
Monoisotopic Mass364.14970118
Topological Polar Surface Area65.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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