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G150

CAT: 0931-T11344-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T11344-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2369751-30-2
Target
CGAS, DNA
Related Pathways
DNA Damage/DNA Repair, Immunology/Inflammation
Purity
0.9775
Bioactivity
G150 inhibited interferon expression triggered by DSDNA with IC50 of 10.2 nM.G150 is an effective and highly selective inhibitor of human cyclic GMP-AMP synthase (H-CGAS) .
Smiles
Nc1ccc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
Molecular Formula
C18H16Cl2N4O2
Molecular Weight
391.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CAS Number2369751-30-2
PubChem CID138393372
IUPAC Name1-[9-(6-amino-3-pyridinyl)-6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.2
XLogP2.2
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity539
SMILES
C1CN(CC2=C1NC3=C2C(=CC(=C3Cl)Cl)C4=CN=C(C=C4)N)C(=O)CO
InChI
InChI=1S/C18H16Cl2N4O2/c19-12-5-10(9-1-2-14(21)22-6-9)16-11-7-24(15(26)8-25)4-3-13(11)23-18(16)17(12)20/h1-2,5-6,23,25H,3-4,7-8H2,(H2,21,22)
InChIKey
VVUOUIPXYFIWLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CAS: 2369751-30-2
CID: 138393372
Formula: C18H16Cl2N4O2
MW: 391.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.2
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass390.0650312
Monoisotopic Mass390.0650312
Topological Polar Surface Area95.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
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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