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AJ2-71

CAT: 0013-GTR19217531-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217531-02Size:5 mg
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Description
AJ2-71 is a SLC15A4 inhibitor that blocks MDP transport and reduces IFN-α production. This compound is a useful research tool for investigating SLC15A4's role in inflammatory pathways, such as in TLR-mediated immune responses, in both cellular and animal models of autoimmune disease.
CAS Number
2700323-17-5
Field of Research
Pharmacology & Drug Discovery
Smiles
N=1C=2C=CC=CC2NC1NCC3=CNC=4C=5C=CC=CC5C=CC34
Molecular Formula
C20H16N4
Molecular Weight
312.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1H-benzo[g]indol-3-ylmethyl)-1H-benzimidazol-2-amine
CAS Number2700323-17-5
PubChem CID166172603
IUPAC NameN-(1H-benzo[g]indol-3-ylmethyl)-1H-benzimidazol-2-amine
Molecular FormulaC20H16N4
Molecular Weight312.4
XLogP4.7
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC=C3CNC4=NC5=CC=CC=C5N4
InChI
InChI=1S/C20H16N4/c1-2-6-15-13(5-1)9-10-16-14(11-21-19(15)16)12-22-20-23-17-7-3-4-8-18(17)24-20/h1-11,21H,12H2,(H2,22,23,24)
InChIKey
VXDJUMYQUPVGOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1H-benzo[g]indol-3-ylmethyl)-1H-benzimidazol-2-amine
CAS: 2700323-17-5
CID: 166172603
Formula: C20H16N4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass312.137496527
Monoisotopic Mass312.137496527
Topological Polar Surface Area56.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
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

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