Opaganib
Also known as 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide, ABC 294640, Yeliva
Key facts
What buyers check first
- CAS number
- 915385-81-8
- Formula
- C23H25ClN2O
- Molar mass
- 380.92 g/mol
- HS code
- 293339
- Category
- Screening compounds
What is Opaganib?
Plain description, key identifiers and synonyms
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1-adamantanecarboxamide is an organochlorine compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
- CAS number
- 915385-81-8
- Molecular formula
- C23H25ClN2O
- UNII
- DRG21OQ517
- MDL number
- MFCD22666355
- InChIKey
- CAOTVXGYTWCKQE-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
- SMILES (canonical and isomeric)
- C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl
Synonyms
- 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
- ABC 294640
- Yeliva
- 4-pyridinylmethyl-3-(4-chlorophenyl) adamantane carboxamide
- 4-Pyridinylmethyl 3(4-chlorophenyl)adamantine carboxamide
- Tricyclo(3.3.1.13,7)decane-1-carboxamide, 3-(4-chlorophenyl)-N-(4-pyridinylmethyl)-
- opaganibum
- 3-(4-chlorophenyl)-N-((pyridin-4-yl)methyl)adamantane-1-carboxamide
- 3-(4-chlorophenyl)-N-[(pyridin-4-yl)methyl]adamantane-1-carboxamide
- SK2 inhibitor ABC294640
- Opaganib (ABC294640)
- 3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)tricyclo[3.3.1.13,7]decane-1-carboxamide
- (1s,3r,5R,7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
- ABC294640Opaganib?
- 3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)tricyclo[3.3.1.1(3,7)]decane-1-carboxamide
- 3-(4-chlorophenyl)-N-(4-pyridylmethyl)adamantane-1-carboxamide
- ABC294640|915385-81-8|ABC-294640
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 | 380.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 380.1655 Dacalc.Computed value |
| LogP (octanol/water) | 4.89calc.Computed value |
| Topological polar surface area | 41.99 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.48calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
6 rings, 26 atoms.
3 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.
Opaganib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, HangzhouUnclaimed profileOpaganibGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileOpaganibGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileOpaganibGrade, purity and minimum order on requestPrice on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
4 suppliers in 3 countries
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Opaganib 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
Pharmacology
Opaganib is an orally available, aryladamantane compound and selective inhibitor of sphingosine kinase-2 (SK2) with potential antineoplastic activity. Upon administration, opaganib competitively binds to and inhibits SK2, thereby preventing the phosphorylation of the pro-apoptotic amino alcohol sphingosine to sphingosine 1-phosphate (S1P), the lipid mediator that is pro-survival and critical for immunomodulation. This may eventually lead to the induction of apoptosis and may result in an inhibition of cell proliferation in cancer cells overexpressing SK2. SK2 and its isoenzyme SK1 are overexpressed in numerous cancer cell types.
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 Opaganib is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโฆ
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Opaganib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Opaganib, based on the data on this page
What is Opaganib?
What is the CAS number of Opaganib?
What is the molecular formula and weight of Opaganib?
What is Opaganib used for?
Is Opaganib hazardous?
What is the HS code of Opaganib?
Where can I buy Opaganib?
What is the price of Opaganib?
Guides for buyers
Practical guides that help when you source, ship or handle Opaganib
- 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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