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Tamoxifen-​d5

CAT: 0804-HY-13757ASSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13757ASSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tamoxifen-d5 is a deuterium labeled Tamoxifen. Tamoxifen (ICI 47699) is an orally active, selective estrogen receptor modulator (SERM) . Tamoxifen is a potent Hsp90 activator and enhances the Hsp90 molecular chaperone ATPase activity[1][2].
CAS Number
157698-32-3
Product Name Alternative
ICI 47699-​d5; (Z) -Tamoxifen-​d5; trans-Tamoxifen-​d5
UNSPSC
12352005
Hazard Statement
H302, H350, H360, H410
Target
Apoptosis; Autophagy; Estrogen Receptor/ERR; HSP; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Autophagy; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.99
Solubility
DMSO : 83.33mg/mL (ultrasonic)
Smiles
[2H]C([2H])([2H])C([2H])([2H])/C(C1=CC=CC=C1)=C(C2=CC=C(OCCN(C)C)C=C2)\C3=CC=CC=C3
Molecular Formula
C26H24D5NO
Molecular Weight
376.55
Precautions
H302, H350, H360, H410
References & Citations
[1]Osborne CK. Tamoxifen in the treatment of breast cancer. N Engl J Med. 1998 Nov 26;339 (22) :1609-18.|[2]Zhao R, et al. Tamoxifen enhances the Hsp90 molecular chaperone ATPase activity. PLoS One. 2010 Apr 1;5 (4) :e9934.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
Estrogen receptor; HSP90

Chemical Information

Tamoxifen-d5
CAS Number157698-32-3
PubChem CID3036736
IUPAC NameN,N-dimethyl-2-[4-[(Z)-3,3,4,4,4-pentadeuterio-1,2-diphenylbut-1-enyl]phenoxy]ethanamine
Molecular FormulaC26H29NO
Molecular Weight376.5
XLogP7.1
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity463
SMILES
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-/i1D3,4D2
InChIKey
NKANXQFJJICGDU-FUYVPVGLSA-N
Chemical Structure
2D Structure
2D structure of Tamoxifen-d5
CAS: 157698-32-3
CID: 3036736
Formula: C26H29NO
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass376.256298278
Monoisotopic Mass376.256298278
Topological Polar Surface Area12.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity463
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-T006077-10MGTamoxifen-d5
MBS5767695Tamoxifen-?d5
T13076-01Tamoxifen-​d5
sc-220186Tamoxifen-ethyl-d5
AR-T03952-01Tamoxifen-d5 (Phenyl-ring-d5)
TRC-T006007-1MG(E/Z)-Tamoxifen-d5
TRC-D293902-1MGN-Desmethyl Tamoxifen-d5
021248(E/Z) -Tamoxifen-d5
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