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MRT 67307 dihydrochloride

CAT: 0013-GTR19190966-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190966-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRT67307 dihydrochloride is a potent dual inhibitor of IKKε (IC50=160 nM) and TBK1 (IC50=19 nM), and also inhibits ULK1/2, thereby blocking autophagy. This compound is a valuable research tool for studying innate immunity, autophagy signaling, and their roles in cancer and inflammatory diseases in cellular models.
CAS Number
1781882-89-0
Product Name Alternative
MRT 67307, MRT 67307 Dihydrochloride, MRT 67307 dihydrochloride, MRT67307, MRT-67307, MRT67307 Dihydrochloride, MRT-67307 Dihydrochloride, Salt-inducible Kinase (SIK)
Field of Research
Cell Biology, Signal Transduction
Purity
98.43% (May vary between batches)
Solubility
DMSO:82.8 mg/mL (154.04 mM)
Smiles
O=C (C1CCC1) NCCCNC2=NC (NC3=CC=CC (CN4CCOCC4) =C3) =NC=C2C5CC5.Cl.Cl
Molecular Formula
C26H38Cl2N6O2
Molecular Weight
537.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MRT 67307 dihydrochloride
CAS Number1781882-89-0
PubChem CID90489013
IUPAC NameN-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochloride
Molecular FormulaC26H38Cl2N6O2
Molecular Weight537.5
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity637
SMILES
C1CC(C1)C(=O)NCCCNC2=NC(=NC=C2C3CC3)NC4=CC=CC(=C4)CN5CCOCC5.Cl.Cl
InChI
InChI=1S/C26H36N6O2.2ClH/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32;;/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31);2*1H
InChIKey
ZIKXPHATVRPOQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MRT 67307 dihydrochloride
CAS: 1781882-89-0
CID: 90489013
Formula: C26H38Cl2N6O2
MW: 537.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass536.2433299
Monoisotopic Mass536.2433299
Topological Polar Surface Area91.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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