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Triparanol

CAT: 0931-T26296-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26296-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78-41-1
Target
Hedgehog/Smoothened, Apoptosis
Related Pathways
Stem Cells, GPCR/G Protein, Apoptosis
Purity
0.9973
Bioactivity
Triparanol (NSC-65345) interferes with posttranslational modification of Hedgehog signaling molecules as well as the sterol sensing domain of its receptor PTCH1, leading to down-regulation of Hedgehog signaling. Triparanol suppresses human tumor growth and is an antilipemic agent with high ophthalmic toxicity.
Smiles
C(CC1=CC=C(Cl)C=C1)(O)(C2=CC=C(OCCN(CC)CC)C=C2)C3=CC=C(C)C=C3
Molecular Formula
C27H32ClNO2
Molecular Weight
438
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Triparanol

Triparanol is a stilbenoid. It has a role as an anticoronaviral agent.

CAS Number78-41-1
PubChem CID6536
IUPAC Name2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
Molecular FormulaC27H32ClNO2
Molecular Weight438.0
XLogP6.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity489
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)C)O
InChI
InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
InChIKey
SYHDSBBKRLVLFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triparanol
CAS: 78-41-1
CID: 6536
Formula: C27H32ClNO2
MW: 438.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.0
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass437.2121570
Monoisotopic Mass437.2121570
Topological Polar Surface Area32.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS5776022Triparanol
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