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KB-R7943

CAT: 0804-HY-138947-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138947-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KB-R7943 (compound 1) is an inhibitor of sodium-calcium exchanger with an IC50 value of 5.1 μM. KB-R7943 can be used as a tool in heart and renal failure models[1].
CAS Number
182004-64-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Na+/Ca2+ Exchanger
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/kb-r7943.html
Smiles
NC(SCCC1=CC=C(OCC2=CC=C([N+]([O-])=O)C=C2)C=C1)=N
Molecular Formula
C16H17N3O3S
Molecular Weight
331.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Takahiro Kuramochi, et al. Discovery of N- (3-{4-[ (3-fluorobenzyl) oxy]phenoxy}propyl) -2-pyridin-4-ylacetamide as a potent and selective reverse NCX inhibitor. Chem Pharm Bull (Tokyo) . 2005 Aug;53 (8) :1043-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester

Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester is a C-nitro compound.

CAS Number182004-64-4
PubChem CID4534086
IUPAC Name2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Molecular FormulaC16H17N3O3S
Molecular Weight331.4
XLogP3.4
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity387
SMILES
C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O3S/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/h1-8H,9-11H2,(H3,17,18)
InChIKey
UMJUNUMSJDTYTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
CAS: 182004-64-4
CID: 4534086
Formula: C16H17N3O3S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass331.09906259
Monoisotopic Mass331.09906259
Topological Polar Surface Area130 Ų
Heavy Atom Count23
Formal Charge0
Complexity387
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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T89578-01KB-R7943
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