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Endo CNTinh-03

CAT: 0013-GTR19236492-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236492-01Size:25 mg
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Description
Endo CNTinh-03 is a small molecule inhibitor of cAMP and cGMP signaling (IC50 = 4 μM), blocking toxin-induced chloride currents. It is used in research on secretory diarrhea and polycystic kidney disease, demonstrating efficacy in both cellular assays and mouse models.
CAS Number
345288-49-5
Field of Research
Metabolism Research
Smiles
O=C (OC) C1=C (SC (=C1C2=CC=C (C=C2) C) C) NC (=O) C3C (C (=O) O) C4CCC3C4
Molecular Formula
C23H25NO5S
Molecular Weight
427.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

endo CNTinh-03
CAS Number345288-49-5
PubChem CID2887210
IUPAC Name3-[[3-methoxycarbonyl-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Molecular FormulaC23H25NO5S
Molecular Weight427.5
XLogP5.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity691
SMILES
CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O)C
InChI
InChI=1S/C23H25NO5S/c1-11-4-6-13(7-5-11)16-12(2)30-21(19(16)23(28)29-3)24-20(25)17-14-8-9-15(10-14)18(17)22(26)27/h4-7,14-15,17-18H,8-10H2,1-3H3,(H,24,25)(H,26,27)
InChIKey
MGMHBWAUAKEYAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of endo CNTinh-03
CAS: 345288-49-5
CID: 2887210
Formula: C23H25NO5S
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass427.14534407
Monoisotopic Mass427.14534407
Topological Polar Surface Area121 Ų
Heavy Atom Count30
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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