VX-984
Also known as 4-Quinolinecarboxamide, N-methyl-8-((1S)-1-methyl-2-((2'-methyl(4,5'-bipyrimidin)-6-yl-4',6'-d2)amino)ethyl)-, N-Methyl-8-((2S)-1-((6-(2-methyl(2H2)pyrimidin-5-yl)pyrimidin-4-yl)amino)propan-2-yl)quinoline-4-carboxamide, 4-Quinolinecarboxamide, N-methyl-8-[(1S)-1-methyl-2-[(2'-methyl[4,5'-bipyrimidin]-6-yl-4',6'-d2)amino]ethyl]-
Key facts
What buyers check first
- CAS number
- 1476074-39-1
- Formula
- C23H23N7O
- Molar mass
- 415.50 g/mol
- HS code
- 284590
- Category
- Isotope-labelled compounds
What is VX-984?
Plain description, key identifiers and synonyms
DNA-dependent Protein Kinase Inhibitor VX-984 is an ATP-competitive inhibitor of the catalytic subunit of DNA-dependent protein kinase (DNA-PK), with potential sensitizing and enhancing activities for both chemo- and radiotherapies. Upon administration, DNA-PK inhibitor VX-984 binds to and inhibits the catalytic subunit of DNA-PK, thereby interfering with the non-homologous end joining (NHEJ) process and preventing repair of DNA double strand breaks (DSBs) caused by ionizing radiation or chemotherapeutic treatment. This increases chemo- and radiotherapy cytotoxicity and leads to enhanced tumor cell death. The enhanced ability of tumor cells to repair DSBs plays a major role in the resistance of tumor cells to chemo- and radiotherapy, DNA-PK plays a key role in the NHEJ pathway and DSB repair.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 8-[(2S)-1-[[6-(4,6-dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
- CAS number
- 1476074-39-1
- Molecular formula
- C23H23N7O
- UNII
- 0C33IBK195
- MDL number
- MFCD30502668
- InChIKey
- PEACIOGDEQRHFA-KIYKJNLWSA-N
- InChI
- InChI=1S/C23H23N7O/c1-14(17-5-4-6-18-19(23(31)24-3)7-8-25-22(17)18)10-28-21-9-20(29-13-30-21)16-11-26-15(2)27-12-16/h4-9,11-14H,10H2,1-3H3,(H,24,31)(H,28,29,30)/t14-/m1/s1/i11D,12D
- Canonical SMILES
- CNC(=O)c1ccnc2c(C(C)CNc3cc(-c4cnc(C)nc4)ncn3)cccc12
- Isomeric SMILES
- [2H]C1=C(C(=NC(=N1)C)[2H])C2=CC(=NC=N2)NC[C@@H](C)C3=CC=CC4=C(C=CN=C43)C(=O)NC
Synonyms
- 4-Quinolinecarboxamide, N-methyl-8-((1S)-1-methyl-2-((2'-methyl(4,5'-bipyrimidin)-6-yl-4',6'-d2)amino)ethyl)-
- N-Methyl-8-((2S)-1-((6-(2-methyl(2H2)pyrimidin-5-yl)pyrimidin-4-yl)amino)propan-2-yl)quinoline-4-carboxamide
- 4-Quinolinecarboxamide, N-methyl-8-[(1S)-1-methyl-2-[(2'-methyl[4,5'-bipyrimidin]-6-yl-4',6'-d2)amino]ethyl]-
- DNA-PK Inhibitor VX-984
- DNA-dependent Protein Kinase Inhibitor VX-984
- 8-[(2S)-1-[[6-(4,6-dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
- (S)-N-methyl-8-(1-((2'-methyl-[4,5'-bipyrimidin]-6-yl-4',6'-d2)amino)propan-2-yl)quinoline-4-carboxamide
- 8-[(1S)-2-[[6-(4,6-dideuterio-2-methyl-pyrimidin-5-yl)pyrimidin-4-yl]amino]-1-methyl-ethyl]-N-methyl-quinoline-4-carboxamide
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 | 415.50 g/molcalc.Computed value |
|---|---|
| Exact mass | 415.209 Dacalc.Computed value |
| LogP (octanol/water) | 3.37calc.Computed value |
| Topological polar surface area | 105.6 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 31calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.22calc.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.
VX-984 suppliers
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VX-984 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
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 VX-984 is traded under.
Compounds, inorganic or organic, of such isotopes, whether or not chemically defined
- Ireland55.3%
- Hong Kong11.8%
- United States10.7%
- China24.3%
- Ireland21.9%
- South Korea13.3%
The HS code shown for VX-984 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
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![8-[(2S)-1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O, CAS 1562396-65-9](/s/VVBJVVDVLYCIOI-PWIXWOBGSA-N.svg)
![8-[1-[[6-(4,6-Dideuterio-2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O](/s/VVBJVVDVLYCIOI-MIBQVNFTSA-N.svg)
![N-Methyl-8-[(1S)-1-methyl-2-[[2a(2)-(1-methylethyl)[4,5a(2)-bipyrimidin]-6-yl]amino]ethyl]-4-quinolinecarboxamide chemical structure, C25H27N7O, CAS 1476074-44-8](/s/MEAZSBOORSOEFP-MRXNPFEDSA-N.svg)
![8-[(1S)-1-Methyl-2-[(2'-methyl[4,5'-bipyrimidin]-6-yl)amino]ethyl]-4-quinolinecarboxamide chemical structure, C22H21N7O, CAS 1476072-30-6](/s/VVBJVVDVLYCIOI-CYBMUJFWSA-N.svg)
![8-[1-[[6-(2-Methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide chemical structure, C22H21N7O](/s/VVBJVVDVLYCIOI-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![(E)-2-Amino-N-cyclohexyl-1-((pyridin-2-ylmethylene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide chemical structure, C23H23N7O, CAS 841208-32-0](/s/IXUZDTCYILGMBX-VULFUBBASA-N.svg)
![2-[4-(2-Methoxyphenyl)piperazin-1-yl]-N-phenylpteridin-4-amine chemical structure, C23H23N7O, CAS 946298-63-1](/s/LDNRFYMJTAVASA-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about VX-984, based on the data on this page
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What is the molecular formula and weight of VX-984?
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Guides for buyers
Practical guides that help when you source, ship or handle VX-984
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.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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