CAS 912545-86-9

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide

Description:

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide, with CAS number 912545-86-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzo[b]thiophene core, a carboxamide functional group, and various substituents that contribute to its pharmacological properties. This compound features a chloro group and a methylamino group attached to a cyclohexyl ring, as well as a pyridinyl-phenyl moiety, indicating potential interactions with biological targets. Its structure suggests it may exhibit specific biological activities, possibly related to central nervous system modulation or other therapeutic effects. The presence of multiple aromatic rings and heteroatoms may enhance its lipophilicity and influence its solubility and permeability. As with many compounds in medicinal chemistry, the precise characteristics, including its stability, reactivity, and biological activity, would depend on the specific conditions under which it is studied. Further research would be necessary to fully elucidate its properties and potential applications in pharmacology.

Formula: C₂₈H₂₈ClN₃OS

InChI: InChI=1/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-

InChI key: InChIKey=VFSUUTYAEQOIMW-YHBQERECNA-N

SMILES: N(C(=O)C1=C(Cl)C=2C(S1)=CC=CC2)(CC3=CC(=CC=C3)C=4C=CN=CC4)[C@@H]5CC[C@@H](NC)CC5

Synonyms:

• SAG (Smo agonist)
• Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]-
• 3-chloro-N-((1r,4r)-4-(methylamino)cyclohexyl)-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamide
• Smoothened Agonist (SAG) free base
• SAG
• 3-Chloro-N-[trans-4-(MethylaMino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]Methyl]-
• 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- benzo[b]thiophene-2-carboxamide
• SAG (cyclopamine antagonist)
• 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide
• SAG(Smoothened Agonist)
• Smoothened Agonist (SAG) HCl
• Smoothened Agonist (SAG)

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide

CAS: 912545-86-9

Formula: C₂₈H₂₈ClN₃OS

Purity: 95%

Color and Shape: Solid

Molecular weight: 490.0594

Ref: IN-DA003AA8

SAG

CAS: 912545-86-9

SAG

Purity: ≥95%

Color and Shape: Solid

Molecular weight: 490.06g/mol

Ref: 54-OR958890

SAG

CAS: 912545-86-9

Formula: C₂₈H₂₈ClN₃OS

Purity: (NMR) ≥ 98.0%

Color and Shape: Conflicting attributes defined

Molecular weight: 490.1

Ref: 7W-GL4333

SAG

CAS: 912545-86-9

SAG (Smoothened Agonist) is a Smo receptor agonist (EC50=3 nM) that is cell-permeable and selective.

Formula: C₂₈H₂₈ClN₃OS

Purity: 97.37% - 98.88%

Color and Shape: Solid

Molecular weight: 490.06

Ref: TM-T1779

SAG dihydrochloride

CAS: 912545-86-9

SAG is a naturally occurring molecule that is expressed in the human body. It is involved in the regulation of physiological processes, such as the regulation of corticotropin-releasing hormone (CRH), and pluripotent stem cells. SAG has been shown to have life-threatening effects in vitro studies, where it increases the proliferation of cancer cells. Benzyl groups are added to SAG for cell culture experiments, which prevents its degradation by anhydrase enzymes. In vitro studies show that SAG promotes organoid formation from pluripotent stem cells and has an anti-cancer effect on cancer cell lines.

Formula: C₂₈H₂₈ClN₃OS

Purity: Min. 95%

Molecular weight: 490.06 g/mol

Ref: 3D-FS46870

SAG

CAS: 912545-86-9

Smoothened agonist and activator of the Hedgehog signalling pathway with EC50 of 3 nM. SAG binds to the Smoothened heptahelical bundle and antagonises effects of the Smoothened antagonist cyclopamine. In previous studies, SAG activated neurogenesis and neuronal survival in cell and animal models as well as improved cell differentiation of human induced pluripotent cells into the neuronal lineage.

Formula: C₂₈H₂₈ClN₃OS

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 490.06 g/mol

Ref: 3D-FS27779

SAG

Controlled Product

CAS: 912545-86-9

Formula: C₂₈H₂₈ClN₃OS·2ClH·2H₂O

Color and Shape: Neat

Molecular weight: 599.01

Ref: TR-S083600