Products for Research Use Only
RegisterLogin

SAG

CAT: 0607-B5837-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B5837-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Hh and Smo agonist
CAS Number
912545-86-9
Product Name Alternative
3-chloro-N-((1r,4r)-4-(methylamino)cyclohexyl)-N-(3-(pyridin-4-yl)benzyl)benzo[b]thiophene-2-carboxamide
Field of Research
Stem Cell Hedgehog
Purity
0.9662
Solubility
≥24.5 mg/mL in DMSO; ≥16.33 mg/mL in H2O with gentle warming and ultrasonic; ≥2.61 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CN[C@@]1([H])CC[C@@](N(C(C2=C(Cl)C3=CC=CC=C3S2)=O)CC4=CC(C5=CC=NC=C5)=CC=C4)([H])CC1
Molecular Formula
C28H28ClN3OS
Molecular Weight
490.06
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sag1.3

3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide is a member of the class of 1-benzothiophenes that is 3-chloro-1-benzothiophene-2-carboxamide in which the amide nitrogen is substituted by trans-4-(methylamino)cyclohexyl and 3-(pyridin-4-yl)benzyl groups. A smoothened (Smo) receptor agonist that antagonizes cyclopamine action at the Smo receptor. Activates the Hedgehog signaling pathway in a Patched independent manner. It has a role as a SMO receptor agonist. It is a tertiary carboxamide, an organochlorine compound, a phenylpyridine, a member of 1-benzothiophenes, a secondary amino compound and a biaryl.

CAS Number912545-86-9
PubChem CID5284330
IUPAC Name3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
Molecular FormulaC28H28ClN3OS
Molecular Weight490.1
XLogP6.3
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity666
SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl
InChI
InChI=1S/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
InChIKey
VFSUUTYAEQOIMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sag1.3
CAS: 912545-86-9
CID: 5284330
Formula: C28H28ClN3OS
MW: 490.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.1
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass489.1641614
Monoisotopic Mass489.1641614
Topological Polar Surface Area73.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity666
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

Alternative Products

CatalogName
303-150Riboclear (RNA Cleanup)
TBS10485-100Tribio InVivoMAb Anti-Mouse TIGIT & PD-L1 Bispecific Antibody
TBS10191-1mgTetrahydrocannabinol (THC) Monoclonal Antibody
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
122-101ExgeneTM Forensic SV mini
TBS10483-100Tribio InVivoMAb Anti-Mouse PD-L1 & CD28 Bispecific Antibody
TBS10183-1mgMonoclonal Anti-Thyroid Stimulating Hormone (TSH) Antibody
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
121-220Exfection Plasmid EF (Exdotoxin Free, Midi)
TBS10482-100Tribio InVivoMAb Anti-Mouse PD-L1 & OX40 Bispecific Antibody

Popular Products