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Arf1-GEFs-IN-1

CAT: 0013-GTR19264592-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264592-01Size:10 mg
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Description
Arf1-GEFs-IN-1 is a potent and orally active inhibitor of ADP-ribosylation factor 1-guanine nucleotide exchange factors (Arf1-GEFs), exhibiting an IC50 value of 40 μM in CT26 cells. Primarily, Arf1-GEFs-IN-1 induces tumor regression by triggering anti-tumor immune responses rather than direct cytotoxicity. It effectively enhances CCL5 expression and demonstrates excellent in vivo efficacy. Arf1-GEFs-IN-1 is applicable in colon cancer research.
CAS Number
3091068-95-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
N (/N=C/C=1C=C2C (=CC1) NC=C2) C3=C4C5=C (SC4=NC=N3) CN (C) CC5
Molecular Formula
C19H18N6S
Molecular Weight
362.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(E)-1H-indol-5-ylmethylideneamino]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CAS Number3091068-95-7
PubChem CID178203447
IUPAC NameN-[(E)-1H-indol-5-ylmethylideneamino]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Molecular FormulaC19H18N6S
Molecular Weight362.5
XLogP3.5
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity530
SMILES
CN1CCC2=C(C1)SC3=NC=NC(=C23)N/N=C/C4=CC5=C(C=C4)NC=C5
InChI
InChI=1S/C19H18N6S/c1-25-7-5-14-16(10-25)26-19-17(14)18(21-11-22-19)24-23-9-12-2-3-15-13(8-12)4-6-20-15/h2-4,6,8-9,11,20H,5,7,10H2,1H3,(H,21,22,24)/b23-9+
InChIKey
RIKFCCLHMJMGRI-NUGSKGIGSA-N
Chemical Structure
2D Structure
2D structure of N-[(E)-1H-indol-5-ylmethylideneamino]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CAS: 3091068-95-7
CID: 178203447
Formula: C19H18N6S
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass362.13136577
Monoisotopic Mass362.13136577
Topological Polar Surface Area97.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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