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M6766

CAT: 0013-GTR19272827-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272827-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M6766 is a selective and potent inhibitor of endoplasmic reticulum oxidoreductase 1α (ERO1α), exhibiting an IC50 of 1.4 uM and a KD of 1.1 uM. It also inhibits ERO1β with an IC50 of 7.2 uM. M6766 exerts its inhibitory effect by binding to the flavin adenine dinucleotide (FAD) -binding pocket of ERO1α. Functionally, M6766 suppresses granule secretion, αIIbβ3 integrin activation, Ca2+ mobilization, and platelet aggregation. It serves as a significant chemical probe for investigating the molecular pathways of arterial thrombosis and neurological disorders, such as ischemic stroke.
CAS Number
696628-90-7
Purity
99.17% (May vary between batches)
Smiles
N#CC=1C2=NC=3C=CC=CC3N2C (SC4=NN=CN4C) =C5C1CCCC5
Molecular Formula
C19H16N6S
Molecular Weight
360.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
CAS Number696628-90-7
PubChem CID1502442
IUPAC Name11-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Molecular FormulaC19H16N6S
Molecular Weight360.4
XLogP4.5
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity578
SMILES
CN1C=NN=C1SC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N
InChI
InChI=1S/C19H16N6S/c1-24-11-21-23-19(24)26-18-13-7-3-2-6-12(13)14(10-20)17-22-15-8-4-5-9-16(15)25(17)18/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKey
OVVHEOSJBURQFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
CAS: 696628-90-7
CID: 1502442
Formula: C19H16N6S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.11571571
Monoisotopic Mass360.11571571
Topological Polar Surface Area97.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity578
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

Alternative Products

CatalogName
HY-175593M6766

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