MRT 67307 dihydrochloride

CAT: 1410-M34901-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M34901-01Size:5 mg

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Description

MRT 67307 dihydrochloride is a dual inhibitor of the IKKε and TBK-1 with IC50s of 160 and 19 nM, respectively. MRT67307 dihydrochloride also inhibits ULK1 and ULK2 with IC50s of 45 and 38 nM, respectively. MRT67307 dihydrochloride also blocks autophagy in cells.

CAS Number

1781882-89-0

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

537.53

Molecular Formula

C26H38Cl2N6O2

Notes

Research use only, not for human use.

Receptor

SIK

Chemical Information

MRT 67307 dihydrochloride

CAS Number	1781882-89-0
PubChem CID	90489013
IUPAC Name	N-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochloride
Molecular Formula	C26H38Cl2N6O2
Molecular Weight	537.5
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	36
Formal Charge	0
Complexity	637

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

CAS: 1781882-89-0

CID: 90489013

Formula: C26H38Cl2N6O2

MW: 537.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	537.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	536.2433299
Monoisotopic Mass	536.2433299
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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MRT 67307 dihydrochloride

Chemical Information

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