Seviteronel
Also known as 1H-1,2,3-Triazole-5-methanol, alpha-(6,7-bis(difluoromethoxy)-2-naphthalenyl)-alpha-(1-methylethyl)-, (alphaS)-, seviteronelum, 1H-1,2,3-Triazole-5-methanol, alpha-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-alpha-(1-methylethyl)-, (alphaS)-
Key facts
What buyers check first
- CAS number
- 1610537-15-9
- Formula
- C18H17F4N3O3
- Molar mass
- 399.34 g/mol
- HS code
- 293399
- Category
- Screening compounds
What is Seviteronel?
Plain description, key identifiers and synonyms
Seviteronel is an orally available non-steroidal, lyase-selective inhibitor of the steroid 17-alpha-hydroxylase/C17,20 lyase (CYP17A1 or CYP17), with potential anti-androgenic and antineoplastic activities. Upon oral administration, seviteronel selectively inhibits the enzymatic activity of the cytochrome P450 C17,20 lyase in both the testes and adrenal glands, thereby inhibiting androgen production. This may decrease androgen-dependent growth signaling and may inhibit cell proliferation of androgen-dependent tumor cells. The cytochrome P450 enzyme CYP17A1, localized to the endoplasmic reticulum, exhibits both 17alpha-hydroxylase and 17,20-lyase activities, it plays a key role in the steroidogenic pathway. The lyase-selective activity of seviteronel prevents the increased synthesis of mineralocorticoids that is normally seen with non-selective CYP17 inhibitors, which also inhibit the 17-alpha-hydroxylase activity of CYP17A1.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
- CAS number
- 1610537-15-9 CAS number cross-checked
- Molecular formula
- C18H17F4N3O3
- UNII
- 8S5OIN36X4
- MDL number
- MFCD28167778
- InChIKey
- ZBRAJOQFSNYJMF-SFHVURJKSA-N
- InChI
- InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1
- Canonical SMILES
- CC(C)C(O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1cn[nH]n1
- Isomeric SMILES
- CC(C)[C@](C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O
Synonyms
- 1H-1,2,3-Triazole-5-methanol, alpha-(6,7-bis(difluoromethoxy)-2-naphthalenyl)-alpha-(1-methylethyl)-, (alphaS)-
- seviteronelum
- 1H-1,2,3-Triazole-5-methanol, alpha-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-alpha-(1-methylethyl)-, (alphaS)-
- (1S)-1-(6,7-bis(difluoromethoxy)naphthalen-2-yl)-2-methyl-1-(1H-1,2,3-triazol-5-yl)propan-1-ol
- (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
- (S)-seviteronel
- compound 6
- (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol
- (1S)-1-[6,7-bis(difluoromethoxy)-2-naphthyl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
- (1S)-1-(6,7-Bis(difluoromethoxy)naphthalen-2-yl)-2-methyl-1-(1H-1,2,3-triazole-4-yl)propan-1-ol
- (1S)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-1,2,3-triazol-4-yl)propan-1-ol
- 1H-1,2,3-Triazole-5-methanol, alpha-(6,7-bis(difluoromethoxy)-2-naphthalenyl)-alpha-(1-methylethyl)-, (.alpha.s)-
- 1H-1,2,3-Triazole-5-methanol, |A-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-|A-(1-methylethyl)-, (|AS)-
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 | 399.34 g/molcalc.Computed value |
|---|---|
| Exact mass | 399.1206 Dacalc.Computed value |
| LogP (octanol/water) | 4.05calc.Computed value |
| Topological polar surface area | 80.26 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 28calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.33calc.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
Safety 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.
Seviteronel suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Seviteronel can send you quotes. Your contact details stay private until you accept a quote.
Seviteronel 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
Pharmacological actions
- Antineoplastic Agents
- Cytochrome P-450 Enzyme Inhibitors
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 Seviteronel is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Seviteronel is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Seviteronel, based on the data on this page
What is Seviteronel?
Guides for buyers
Practical guides that help when you source, ship or handle Seviteronel
- 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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