6-Cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
Basic information
- CAS
577696-37-8- Standard SMILES
c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1- InChIKey
SWTUPSNBTSPBIH-UHFFFAOYSA-N- Molecular formula
- C13H14N4OS
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.08883226
Overview
Cardionogen-1 is a triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. It has a role as a Wnt signalling inhibitor. It is a triazolothiadiazole and a member of furans.
Names & identifiers
- Preferred name
- 6-Cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
- IUPAC
- 6-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C13H14N4OS
- Molecular weight
- 274.34
Names & synonyms
CDNG1vuc2306-cyclohexyl-3-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-cyclohexyl-3-furan-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazoleRefChem:574666Cardionogen 1577696-37-8cardionogen-16-cyclohexyl-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoleCDNG-1/VUC230698D5VCY7H
Show more names
Cardionogen-1/vuc2301,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-cyclohexyl-3-(2-furanyl)-
VU0247892-31,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-cyclohexyl-3-(2-furanyl)-6-Cyclohexyl-3-(2-furanyl)-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazole6-cyclohexyl-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-cyclohexyl-3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleCDNG-1UNII-698D5VCY7HMLS000081190
Database identifiers
- CAS
577696-37-8
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · DMSO: soluble5mg/mL (clear solution)
- form
- powder
- color
- white to beige
- FDA UNII
- 698 D5VCY7H · 698D5VCY7H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA small molecule promoter affecting cardiomyocyte generation through modulation of the wnt signaling pathway.
Additional notes
DefinitionChEBI: Cardionogen-1 is a triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. It has a role as a Wnt signalling inhibitor. It is a triazolothiadiazole and a member of furans.
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