Basic information
- CAS
2080306-21-2- Standard SMILES
CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1.Cl- InChIKey
SCEOGAWLKSVXHH-UHFFFAOYSA-N- Molecular formula
- C25H35ClN6O
- Average molar mass
- 471 g/mol
- Monoisotopic mass
- 470.2560875
Names & identifiers
- Preferred name
- MRT68921 hydrochloride
- IUPAC
- N-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;hydrochloride
- English name
- MRT68921 HCl
- Molecular formula
- C25H35ClN6O
- Molecular weight
- 471.05
Names & synonyms
MRT68921 hydrochloride2070014-87-6MRT68921 HClMRT68921 (hydrochloride)N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide hydrochlorideN-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;hydrochlorideN-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamidehydrochlorideC25H35ClN6Oorb1221043orb1301858EX-A5110AWLZ4277
Show more names
MRT68921 HCl,MRT-68921 HClMRT68921 HCl, 10 mM in DMSO
VHD01487AKOS032945164HY-100006B2599216-02-9BS-16452DA-75759N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide hydroc hlorideN-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide hydrochloride(1:x)
Properties
Computed structural properties
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 624
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 5 mg/mL · DMSO: 5 mg/mL (11.51 mM);Ethanol: Insoluble
- Water Solubility
- Water: Insoluble
Chemistry & industry
Applications
UsesMRT68921 hydrochloride is a potent inhibitor of ULK1 and ULK2, with IC50 values of 2.9 nM and 1.1 nM, respectively.
Suppliers28 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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