Rezvilutamide
Also known as Ariane, 4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Benzonitrile, 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-
Key facts
What buyers check first
- CAS number
- 1572045-62-5
- Formula
- C22H20F3N3O4S
- Molar mass
- 479.48 g/mol
- HS code
- 293329
- Category
- Screening compounds
What is Rezvilutamide?
Plain description, key identifiers and synonyms
Rezvilutamide is an orally bioavailable androgen receptor (AR) antagonist with potential antineoplastic activity. Upon administration, rezvilutamide competitively binds to AR in target tissues, which both prevents androgen-induced receptor activation and facilitates the formation of inactive complexes that cannot be translocated to the nucleus. This prevents binding to and transcription of AR-responsive genes, inhibits the expression of genes that regulate prostate cancer cell proliferation, and may lead to an inhibition of cell growth of AR-expressing tumor cells. ARs are overexpressed in prostate cancer and play a key role in prostate cancer cell proliferation.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- CAS number
- 1572045-62-5
- Molecular formula
- C22H20F3N3O4S
- UNII
- 70FJN2AW22
- InChIKey
- KRBMOYIWQCZVHA-INIZCTEOSA-N
- InChI
- InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
- Canonical SMILES
- CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OCC(O)CO)cc1
- Isomeric SMILES
- CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
Synonyms
- Ariane
- 4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- Benzonitrile, 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-
- 4-(3-(4-((S)-2,3-Dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
- example 44
- example 44 (WO2014036897A1)
- 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
- SHR 3680
- Androgen Receptor Antagonist SHR3680
- (S)-4-(3-(4-(2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
- Rezvilutamida
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 479.48 g/molcalc.Computed value |
|---|---|
| Exact mass | 479.1127 Dacalc.Computed value |
| LogP (octanol/water) | 3.23calc.Computed value |
| Topological polar surface area | 97.03 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 33calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.32calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1CN(c2ccccc2)C(=S)N1c1ccccc1
3 rings, 19 atoms, the 1,3-Diphenyl-2-thioxoimidazolidin-4-one ring system.
33 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Rezvilutamide suppliers
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Rezvilutamide price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antineoplastic agent
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Rezvilutamide is traded under.
Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…
- United Kingdom13.0%
- United States7.9%
- China6.5%
* Partner reported figures, a lower bound.
The HS code shown for Rezvilutamide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![4-[3-Phenyl-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile chemical structure, C19H14F3N3OS, CAS 915086-36-1](/s/RIJFURMPKGXAOI-UHFFFAOYSA-N.svg)
![Methyl 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]benzoate chemical structure, C21H16F3N3O3S, CAS 915087-15-9](/s/YIMGOTKXGRSQTQ-UHFFFAOYSA-N.svg)
![4-[3-(4-Aminophenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile chemical structure, C19H15F3N4OS, CAS 915086-29-2](/s/NDRACGJTCXVHMJ-UHFFFAOYSA-N.svg)
![4-[3-[4-(4-Hydroxyphenyl)phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile chemical structure, C25H18F3N3O2S, CAS 1973408-76-2](/s/WVKLCXDKHAOSGV-UHFFFAOYSA-N.svg)
![4-[3-(6-Aminopyridin-3-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile chemical structure, C18H14F3N5OS, CAS 879615-37-9](/s/OFWBNSMIDCBEEQ-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![Ethyl 5-(cyclopentanecarboxamido)-4-oxo-3-(4-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate chemical structure, C22H20F3N3O4S, CAS 851951-07-0](/s/QOJXKHXTTPFXQV-UHFFFAOYSA-N.svg)
![2-Methyl-1-naphthalen-2-ylsulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine chemical structure, C22H20F3N3O4S, CAS 524034-06-8](/s/SLYBQCMDEJFCPF-UHFFFAOYSA-N.svg)
![1-(Cyclopropylmethyl)-3-methyl-5-(3-methyl-4-{4-[(trifluoromethyl)sulfanyl]phenoxy}phenyl)-1,3,5-triazinane-2,4,6-trione chemical structure, C22H20F3N3O4S, CAS 2770639-00-2](/s/WXMJMSKXHHYJSF-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Rezvilutamide, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Rezvilutamide
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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