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ML67-33

CAT: 0931-T16112-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16112-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443290-89-8
Target
Potassium Channel, HIV Protease
Related Pathways
Proteases/Proteasome, Membrane transporter/Ion channel, Microbiology/Virology
Bioactivity
ML67-33 rapidly and reversibly affects K2P2.1 (TREK-1) (EC50s: 36.3 μM and 9.7 μM in cell-free and HEK293 cells, respectively) . ML67-33 is a selective activator of temperature- and mechano-sensitive K2P channels.
Smiles
CC1(C)c2cc(Cl)ccc2N(CCc2nnn[nH]2)c2ccc(Cl)cc12
Molecular Formula
C18H17Cl2N5
Molecular Weight
374.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,7-Dichloro-9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)-ethyl]-9,10-dihydro-acridine
CAS Number1443290-89-8
PubChem CID86272454
IUPAC Name2,7-dichloro-9,9-dimethyl-10-[2-(2H-tetrazol-5-yl)ethyl]acridine
Molecular FormulaC18H17Cl2N5
Molecular Weight374.3
XLogP5.3
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity446
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C3=C1C=C(C=C3)Cl)CCC4=NNN=N4)C
InChI
InChI=1S/C18H17Cl2N5/c1-18(2)13-9-11(19)3-5-15(13)25(8-7-17-21-23-24-22-17)16-6-4-12(20)10-14(16)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23,24)
InChIKey
GQPMJOXQJUGJPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Dichloro-9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)-ethyl]-9,10-dihydro-acridine
CAS: 1443290-89-8
CID: 86272454
Formula: C18H17Cl2N5
MW: 374.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.3
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass373.0861010
Monoisotopic Mass373.0861010
Topological Polar Surface Area57.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity446
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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