Products for Research Use Only
RegisterLogin

AHR antagonist 5

CAT: 0931-T10272-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T10272-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2247953-39-3
Target
Aryl Hydrocarbon Receptor, Others
Related Pathways
Others, Immunology/Inflammation
Bioactivity
AHR antagonist 5 is a potent and orally active aryl hydrocarbon receptor (AHR) antagonist (example 39; IC50 < 0.5 μΜ) . It significantly inhibits tumor growth combined with checkpoint inhibitor anti-PD-1.
Smiles
Cl.Cl.Cl.CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(nc12)-c1cncc(F)c1
Molecular Formula
C25H27Cl3FN7
Molecular Weight
550.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AHR antagonist 5
CAS Number2247953-39-3
PubChem CID146047150
IUPAC Name(3R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;trihydrochloride
Molecular FormulaC25H27Cl3FN7
Molecular Weight550.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity679
SMILES
CC(C)C1=C2N=C(N=C(N2N=C1)N[C@@H]3CCC4=C(C3)C5=CC=CC=C5N4)C6=CC(=CN=C6)F.Cl.Cl.Cl
InChI
InChI=1S/C25H24FN7.3ClH/c1-14(2)20-13-28-33-24(20)31-23(15-9-16(26)12-27-11-15)32-25(33)29-17-7-8-22-19(10-17)18-5-3-4-6-21(18)30-22;;;/h3-6,9,11-14,17,30H,7-8,10H2,1-2H3,(H,29,31,32);3*1H/t17-;;;/m1.../s1
InChIKey
SRGGKFXUJGRKIJ-NMRXSTGRSA-N
Chemical Structure
2D Structure
2D structure of AHR antagonist 5
CAS: 2247953-39-3
CID: 146047150
Formula: C25H27Cl3FN7
MW: 550.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass549.137755
Monoisotopic Mass549.137755
Topological Polar Surface Area83.8 Ų
Heavy Atom Count36
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

Related Products

CatalogName
T210161-01AHR antagonist 8
T10269-01AHR antagonist 2
T10271-01AHR antagonist 4
T209736-01AhR agonist 5
T9846-015-HT3 antagonist 5
T206677-01LPA2 antagonist 5
T87103-01PAR4 antagonist 5
T27682-01CCR2 antagonist 5
T61235-01CXCR2 antagonist 5
T85717-01AR antagonist 5

Alternative Products

CatalogName
TBI2441-250MGPranlukast, Leukotriene CysLT1 antagonist; GPR17 antagonist
TBI2597-50MGMontelukast, Leukotriene CysLT1 antagonist; GPR17 antagonist
cyt-538-01chGH Antagonist
cyt-215-01oGH Antagonist
4031352.0500VIP Antagonist
H-8650.0005PDGF Antagonist
JLB39188-01Vasopressin antagonist
254641Antagonist G
sc-221406BCCR4 Antagonist
GTR19133940-01Resistin Antagonist

Popular Products