ChemicalBook--->CAS DataBase List--->1019331-10-2

1019331-10-2

1019331-10-2 Structure

1019331-10-2 Structure
IdentificationBack Directory
[Name]

S0859
[CAS]

1019331-10-2
[Synonyms]

S0859
100852
CS-1766
S0859, >98%
S0859 >=98% (HPLC)
S 0859; S-0859; S 0859; S-0859
(4S)-4-HYDROXY-4-[(3R)-3-HYDROXYBUTYL]-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
2-Chloro-N-({4-[2-(cyanosulfamoyl)phenyl]phenyl}methyl)-N-[(4-methylphenyl)methyl]benzamide
2-Chloro-N-((2'-(N-cyanosulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(4-methylbenzyl)benzamide
2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]- S0859
2-Chloro-N-[[2′-[(cyanoamino)sulfonyl][1,1′-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-benzamide
Benzamide, 2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-
[Molecular Formula]

C29H24ClN3O3S
[MDL Number]

MFCD23136018
[MOL File]

1019331-10-2.mol
[Molecular Weight]

530.04
Chemical PropertiesBack Directory
[Boiling point ]

748.5±70.0 °C(Predicted)
[density ]

1.313±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble10mg/mL, clear
[form ]

powder
[pka]

-1.34±0.40(Predicted)
[color ]

white to light brown
[InChI]

1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
[InChIKey]

ITDBPOSLOROLMT-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(NC#N)c1c(cccc1)c2ccc(cc2)CN(Cc4ccc(cc4)C)C(=O)c3c(cccc3)Cl
Questions And AnswerBack Directory
[Uses]

2-Chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is a selective inhibitor of sodium-bicarbonate cotransporters in mammalian heart.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Hazard InformationBack Directory
[Description]

S0859 is an N-cyanosulphonamide that blocks the sodium/bicarbonate cotransporter (NBC, also known as SLC4A7), which regulates intracellular pH, particularly in myocytes. It inhibits intracellular pH recovery in myocytes with a Ki value of 1.7 μM, with full inhibition occurring at ~30 μM. S0859 does not affect other exchange proteins or enzymes that might regulate intracellular pH. It prevents changes in pH associated with depolarization and hyperpolarization of ventricular myocytes from rabbit, rat, and guinea pig. S0859 has also been used to study the role of NBC in coronary endothelial cells, cancer cells, embryonic kidney cells, and neutrophils.
[Biochem/physiol Actions]

S0859 is a selective high-affinity generic inhibitor of the Na+/HCO3- sodium bicarbonate co-transporter (NBC). S0859 does not inhibit Na+-H+ exchange (NHE).
[storage]

Store at -20°C
[References]

[1] F F-T CH’EN. S0859, an N-cyanosulphonamide inhibitor of sodium-bicarbonate cotransport in the heart[J]. British Journal of Pharmacology, 2009, 153 5: 972-982. DOI: 10.1038/sj.bjp.0707667
[2] TAKU YAMAMOTO. Functional diversity of electrogenic Na+–HCO3? cotransport in ventricular myocytes from rat, rabbit and guinea pig[J]. Journal of Physiology-London, 2005, 562 2: 455-475. DOI: 10.1113/jphysiol.2004.071068
[3] SANJEEV KUMAR. SLC4A7 sodium bicarbonate co-transporter controls mitochondrial apoptosis in ischaemic coronary endothelial cells.[J]. Cardiovascular Research, 2011, 89 2: 392-400. DOI: 10.1093/cvr/cvq330
[4] GITTE LAURITZEN . The Na+/H+ exchanger NHE1, but not the Na+, HCO3- cotransporter NBCn1, regulates motility of MCF7 breast cancer cells expressing constitutively active ErbB2[J]. Cancer letters, 2012, 317 2: Pages 172-183. DOI: 10.1016/j.canlet.2011.11.023
[5] ALEJANDRO ORLOWSKI. Elevated carbon dioxide upregulates NBCn1 Na+/HCO3(-) cotransporter in human embryonic kidney cells.[J]. American Journal of Physiology-renal Physiology, 2013, 305 12: F1765-74. DOI: 10.1152/ajprenal.00096.2013
[6] MIRIAM S GIAMBELLUCA. Characterization of the Na/HCO3(-) cotransport in human neutrophils.[J]. Cellular Physiology and Biochemistry, 2014, 33 4: 982-990. DOI: 10.1159/000358669
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