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AMD-9370

CAT: 0013-GTR19195651-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195651-01Size:25 mg
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Description
AMD-9370 is a small molecule biochemical tool compound for research use. It functions as a selective agonist for the nuclear receptor RORγt and is utilized in both in vitro and in vivo studies to investigate T helper 17 cell biology, autoimmune diseases, and inflammatory pathways.
CAS Number
405204-21-9
Smiles
O=C (NC1=NC=CC=C1) C2=CC=C (C=C2) CN (CC3=NC=4C=CC=CC4N3) C5C6=NC=CC=C6CCC5
Molecular Formula
C30H28N6O
Molecular Weight
488.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(((1H-Benzimidazol-2-ylmethyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-N-(pyridin-2-yl)benzamide
CAS Number405204-21-9
PubChem CID9805513
IUPAC Name4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-pyridin-2-ylbenzamide
Molecular FormulaC30H28N6O
Molecular Weight488.6
XLogP4.2
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity742
SMILES
C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)C(=O)NC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
InChI
InChI=1S/C30H28N6O/c37-30(35-27-12-3-4-17-31-27)23-15-13-21(14-16-23)19-36(20-28-33-24-9-1-2-10-25(24)34-28)26-11-5-7-22-8-6-18-32-29(22)26/h1-4,6,8-10,12-18,26H,5,7,11,19-20H2,(H,33,34)(H,31,35,37)
InChIKey
OZRIBMWKRWFARD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(((1H-Benzimidazol-2-ylmethyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-N-(pyridin-2-yl)benzamide
CAS: 405204-21-9
CID: 9805513
Formula: C30H28N6O
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass488.23245954
Monoisotopic Mass488.23245954
Topological Polar Surface Area86.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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