Deutenzalutamide-d3 - ≥99% , CAS No.1443331-82-5

CAS: 1443331-82-5 Cat. No.: D647784 Summenformel: C21H13D3F4N4O2S Molekulargewicht: 467.45
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GRADE & PURITY ≥99%
Synonyms
Enzalutamide D3 | UNII-3OKI556HC2 | 3OKI556HC2 | 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide | 1443331-82-5 | Benzamide, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Deutschland (EU)
USA*
Price
Qty
1mg
D647784-1mg
Auf Bestellung · 8–12 Wochen
261,10€
5mg
D647784-5mg
Auf Bestellung · 8–12 Wochen
660,26€
10mg
D647784-10mg
Auf Bestellung · 8–12 Wochen
1.076,78€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Deutenzalutamide (Enzalutamide-d 3 ) is a developed deuterium labeled Enzalutamide (MDV3100). Enzalutamide is an androgen receptor (AR) antagonist with an IC50 of 36 nM in LNCaP prostate cells.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Potential advantages of deuterated compounds: (1) Extend the half-life in vivo. Deuterated compounds may be able to prolong the pharmacokinetic characteristics of the compound, that is, prolong the half-life in vivo. This can improve compound safety, efficacy and tolerability, and increase ease of administration. (2) Improve oral bioavailability. Deuterated compounds may reduce the degree of unwanted metabolism (first-pass metabolism) in the gut wall and liver, allowing a greater proportion of the unmetabolized drug to reach its target site of action. High bioavailability determines its activity at low doses and better tolerance. (3) Improve metabolic characteristics. Deuterated compounds may reduce the formation of toxic or reactive metabolites and improve drug metabolism. (4) Improve drug safety. Deuterated compounds may reduce or eliminate adverse side effects of pharmaceutical compounds and are safe. (5) Preserve the therapeutic properties. Deuterated compounds are expected to retain similar biochemical potency and selectivity to hydrogen analogs in previous studies. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyme
Enzalutamide D3 | UNII-3OKI556HC2 | 3OKI556HC2 | 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide | 1443331-82-5 | Benzamide, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5
Spezifikationen & Reinheit
≥99%
Biochemische und physiologische Mechanismen
Deutenzalutamide (Enzalutamide-d 3 ) is a developed deuterium labeled Enzalutamide (MDV3100). Enzalutamide is an androgen receptor (AR) antagonist with an IC50 of 36 nM in LNCaP prostate cells.
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Aktionsart
ANTAGONIST
Reinheit
≥99%
Namen und Kennungen
Kanonisches LächelnCC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
IUPAC Name4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
InChIKeyWXCXUHSOUPDCQV-HPRDVNIFSA-N
INCHI1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)/i3D3
Isomere SMILES [2H]C([2H])([2H])NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F
Molekulargewicht 467.45
Reaxy-Rn 11718700
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11718700&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseAzolidines
SubclassImidazolidines
Intermediate Tree Nodes Not available
Direct ParentPhenylimidazolidines
Alternative Parents Trifluoromethylbenzenes  2-halobenzoic acids and derivatives  Alpha amino acids and derivatives  N-phenylthioureas  Benzamides  Benzoyl derivatives  Benzonitriles  Fluorobenzenes  Imidazolidinones  Aryl fluorides  Vinylogous halides  Thioureas  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Alkyl fluorides  Organofluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylimidazolidine - Alpha-amino acid or derivatives - Trifluoromethylbenzene - N-phenylthiourea - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Thiourea - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organofluoride - Organic oxide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
LöslichkeitDMSO : 25 mg/mL (53.48 mM; Need ultrasonic)
Molekulargewicht467.500 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass467.112 Da
Monoisotopic Mass467.112 Da
Topological Polar Surface Area109.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity839.000
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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