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MP-A08

CAT: 1410-M26761-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M26761-06Size:100 mg
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Description
MP-A08 is a highly selective ATP competitive inhibitor of sphingosine kinase (SPHK1) that targets both SphK1 and SphK2 (Ki: 6.9 ± 0.8 μM and 27 ± 3 μM, respectively) .
CAS Number
219832-49-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
519.63
Molecular Formula
C27H25N3O4S2
Notes
Research use only, not for human use.
Receptor
PHD1

Chemical Information

MP-A08

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.

CAS Number219832-49-2
PubChem CID420266
IUPAC Name4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide
Molecular FormulaC27H25N3O4S2
Molecular Weight519.6
XLogP5
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity925
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=NC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C
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
InChIKey
FLDBNMYJUMAXDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MP-A08
CAS: 219832-49-2
CID: 420266
Formula: C27H25N3O4S2
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass519.12864863
Monoisotopic Mass519.12864863
Topological Polar Surface Area121 Ų
Heavy Atom Count36
Formal Charge0
Complexity925
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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