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KB-R7943

CAT: 0013-GTR19157471-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157471-01Size:200 mg
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Description
KB-R7943 mesylate is a widely used inhibitor of the reverse Na+/Ca2+ exchanger (NCXrev) with IC50 of 5.7±2.1 μM.
CAS Number
182004-65-5
Product Name Alternative
KB-R7943 mesylate
Purity
>98% (HPLC)
Solubility
DMSO:27 mg/mL (63.16 mM)
Smiles
CS (O) (=O) =O.NC (=N) SCCc1ccc (OCc2ccc (cc2) [N+] ([O-]) =O) cc1
Molecular Formula
C17H21N3O6S2
Molecular Weight
427.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate

KB-R7943 is an organic molecular entity.

CAS Number182004-65-5
PubChem CID9823846
IUPAC Namemethanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Molecular FormulaC17H21N3O6S2
Molecular Weight427.5
Topological Polar Surface Area193
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity479
SMILES
CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChIKey
WGIKEBHIKKWJLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate
CAS: 182004-65-5
CID: 9823846
Formula: C17H21N3O6S2
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass427.08717775
Monoisotopic Mass427.08717775
Topological Polar Surface Area193 Ų
Heavy Atom Count28
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T89578-01KB-R7943
522400KB-R7943 mesylate
HY-15415-01KB-R7943 (mesylate)
A11933-100KB-R7943 mesylate 100mg

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