Basic information
- CAS
2080306-21-2- Standard SMILES
CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1.Cl.Cl- InChIKey
NLKPLTWKINJHCK-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N6O
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 506.2327652
Names & identifiers
- Preferred name
- N-(3-((5-cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide dihydrochloride
- IUPAC
- N-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochloride
- English name
- MRT 68921 dihydrochloride
- Molecular formula
- C25H35ClN6O
- Molecular weight
- 471.05
Names & synonyms
N-(3-((5-cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide dihydrochlorideN-[3-({5-cyclopropyl-2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrimidin-4-yl}amino)propyl]cyclobutanecarboxamide dihydrochlorideRefChem:825996999-124-42080306-21-2MRT68921 dihydrochlorideMRT68921 (dihydrochloride)MRT 68921 dihydrochlorideMRT-68921 hydrochlorideMRT68921 2HClN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;dihydrochlorideMFCD30343873
Show more names
MRT 68921 HYDROCHLORIDEMRT68921 HYDROCHLORIDEinhibit,MRT 68921,ULK,MRT-68921 dihydrochloride,Inhibitor,MRT68921,Unc-51 like kinase,MRT68921 dihydrochloride,MRT-68921
MRT68921nbsp2HClMRT-68921 hydrochloride?C25H36Cl2N6Oorb1298334orb2655792SCHEMBL30503001DTXSID601375373FID30621
Properties
Computed structural properties
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O:33.3 · Soluble in H2O:33.3(Max Conc. mg/mL);65.6(Max Conc. mM)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
DescriptionMRT68921 is an inhibitor of ULK1 and ULK2 (IC50s = 2.9 and 1.1 nM, respectively).
UsesMRT68921 dihydrochloride is a potent inhibitor of ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM, respectively[1].
Suppliers34 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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