MP-A08
Also known as MP A08, 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide, 4-Methyl-N-(2-((2-((4-methylphenyl)sulfonamido)benzylidene)amino)phenyl)benzenesulfonamide
Key facts
What buyers check first
- CAS number
- 219832-49-2
- Formula
- C27H25N3O4S2
- Molar mass
- 519.65 g/mol
- HS code
- 293590
- Category
- Screening compounds
What is MP-A08?
Plain description, key identifiers and synonyms
MP-A08 is a sulfonamide that consists of two moieties of 4-methyl-N-phenylbenzenesulfonamide connected to each other at position 2 by an aldimine linker. It is a ATP-competitive inhibitor of sphingosine kinase that targets both SK1 and SK2 (Ki values of 27 M and 6.9 M, respectively) and exhibits anti-cancer properties. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an apoptosis inducer and an EC 2.7.1.91 (sphingosine kinase) inhibitor. It is a member of toluenes, an aldimine and a sulfonamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide
- CAS number
- 219832-49-2
- Molecular formula
- C27H25N3O4S2
- MDL number
- MFCD01053753
- InChIKey
- FLDBNMYJUMAXDQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3
- SMILES (canonical and isomeric)
- CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=NC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
Synonyms
- MP A08
- 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide
- 4-Methyl-N-(2-((2-((4-methylphenyl)sulfonamido)benzylidene)amino)phenyl)benzenesulfonamide
- 4-methyl-n-(2-((2-(4-methylphenylsulfonamido)benzylidene)amino)phenyl)benzenesulfonamide
- 4-methyl-N-{2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide
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 | 519.65 g/molcalc.Computed value |
|---|---|
| Exact mass | 519.1286 Dacalc.Computed value |
| LogP (octanol/water) | 5.66calc.Computed value |
| Topological polar surface area | 104.7 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 36calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.07calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Fails (2 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=S(=O)(Nc1ccccc1C=Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1
4 rings, 34 atoms.
No other chemical in our database has this scaffold.
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.
MP-A08 suppliers
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Post one free request and suppliers who make or trade MP-A08 can send you quotes. Your contact details stay private until you accept a quote.
MP-A08 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
- angiogenesis inhibitor
- antineoplastic agent
- apoptosis inducer
- enzyme inhibitor
- 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 MP-A08 is traded under.
Sulphonamides, other
- United States23.6%
- Slovenia19.1%
- Spain11.7%
* Partner reported figures, a lower bound.
The HS code shown for MP-A08 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-Methyl-N-[2-[(4-methylphenyl)iminomethyl]phenyl]benzenesulfonamide chemical structure, C21H20N2O2S, CAS 5570-43-4](/s/PTBJBEMSRKEAPH-UHFFFAOYSA-N.svg)
![N-{2-[(E)-Benzylideneamino]phenyl}-4-methylbenzene-1-sulfonamide chemical structure, C20H18N2O2S, CAS 5358-10-1](/s/WFDJKPVNICFGDL-UHFFFAOYSA-N.svg)
![N-(2-{[(3-Bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide chemical structure, C20H17BrN2O3S, CAS 28856-99-7](/s/ONAQJBBIODTJEW-UHFFFAOYSA-N.svg)
![N-(2-{[(2,4-Dihydroxyphenyl)methylidene] amino}phenyl)-4-methylbenzenesulfonamide chemical structure, C20H18N2O4S, CAS 28857-05-8](/s/HLADQEOENUBOJX-UHFFFAOYSA-N.svg)
![N-(2-{[(5-Methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide chemical structure, C21H20N2O4S, CAS 28857-00-3](/s/ZGHZQDIFNXNVEW-UHFFFAOYSA-N.svg)
![N-[2-[(2-Hydroxy-3-nitrophenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide chemical structure, C20H17N3O5S, CAS 28857-02-5](/s/UBRDMOCDVXLYGB-UHFFFAOYSA-N.svg)
![N-[2-[(5-Chloro-2-hydroxyphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide chemical structure, C20H17ClN2O3S, CAS 28856-98-6](/s/QBIJGAKQLQRDLW-UHFFFAOYSA-N.svg)
![N-(2-{[(3,5-Diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide chemical structure, C20H16I2N2O3S, CAS 28857-04-7](/s/BTVJFOFHYDRJCH-UHFFFAOYSA-N.svg)
![N-(2-{[(3,5-Dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)-4-methylbenzene-1-sulfonamide chemical structure, C20H16Cl2N2O3S, CAS 28857-03-6](/s/LAGMNEWJJIXYGR-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![2-[(3-Ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]-N-(2-methoxydibenzo[B,D]furan-3-yl)acetamide chemical structure, C27H25N3O4S2, CAS 578701-26-5](/s/OZFDJXRKKUYTFW-UHFFFAOYSA-N.svg)
![2-(Pyrrolidin-1-yl)benzo[d]thiazol-6-yl 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoate chemical structure, C27H25N3O4S2, CAS 941935-95-1](/s/PCBDOQLPVCCJPX-UHFFFAOYSA-N.svg)
![(Z)-4-((2,6-Dimethylmorpholino)sulfonyl)-N-(3-(prop-2-yn-1-yl)naphtho[2,1-d]thiazol-2(3H)-ylidene)benzamide chemical structure, C27H25N3O4S2, CAS 1321774-00-8](/s/AGTNNCRDQPEOOC-UHFFFAOYSA-N.svg)
![Ethyl 4-[2-(4-oxo-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimid in-2-ylthio)acetylamino]benzoate chemical structure, C27H25N3O4S2, CAS 494826-09-4](/s/NBRYQWYEGVXMDN-UHFFFAOYSA-N.svg)
![N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide chemical structure, C27H25N3O4S2, CAS 315693-66-4](/s/GHHRCVJFJYUXFF-UHFFFAOYSA-N.svg)
![4-(2,3-Dihydroindol-1-ylsulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide chemical structure, C27H25N3O4S2, CAS 361170-61-8](/s/NCLIDYSFHSZKMT-UHFFFAOYSA-N.svg)
![4-(3,4-Dihydro-2H-quinolin-1-ylsulfonyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide chemical structure, C27H25N3O4S2, CAS 441289-92-5](/s/PCWBHGDTCSNQOU-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about MP-A08, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle MP-A08
- 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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