Basic information
- CAS
1207253-08-4- Standard SMILES
COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC- InChIKey
CKTWQGHVNRYNCM-UHFFFAOYSA-N- Molecular formula
- C24H20ClN5O3
- Average molar mass
- 461.9 g/mol
Overview
MK-1064 is under investigation in clinical trial NCT02549014 (A Single Dose Study of the Safety, Pharmacokinetics and Pharmacodynamics of MK-1064 (MK-1064-001)).
Names & identifiers
- Preferred name
- Mk-1064
- IUPAC
- 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
- English name
- mk-1064
- Molecular formula
- C24H20ClN5O3
- Molecular weight
- 461.9
Names & synonyms
mk-10641207253-08-45''-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamideMK 10645-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamideO812716S9EUNII-O812716S9E5-(5-Chloro-3-pyridyl)-N-((5,6-dimethoxy-2-pyridyl)methyl)-2-(2-pyridyl)pyridine-3-carboxamide(2,2':5',3''-Terpyridine)-3'-carboxamide, 5''-chloro-N-((5,6-dimethoxy-2-pyridinyl)methyl)-5''-Chloro-N-((5,6-dimethoxypyridin-2-yl)methyl)-2,2':5',3''-terpyridine-3'-carboxamide5'-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(pyridin-2-yl)-[3,3'-bipyridine]-5-carboxamide[2,2':5',3''-Terpyridine]-3'-carboxamide, 5''-chloro-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-
Show more names
CS-2221MK-1064, CID 44633765MK-1064, 10 mM in DMSOMK-1064(Urokinase inhibitor 1)
5'-chloro-N-((5,6-dimethoxypyridin-2-yl)methyl)-6-(pyridin-2-yl)-(3,3'-bipyridine)-5-carboxamide5-(5-chloropyridin-3-yl)-N-((5,6-dimethoxypyridin-2-yl)methyl)-2-pyridin-2-ylpyridine-3-carboxamideRefChem:159185MK1064CHEMBL33388665''-Chloro-N-((5,6-dimethoxypyridin-2-yl)methyl)-[2,2':5',3''-terpyridine]-3'-carboxamideCKTWQGHVNRYNCM-UHFFFAOYSA-NMFCD28502027
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Boiling point
- 662.4 · 662.4±55.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 60 · DMSO:60.0(Max Conc. mg/mL);129.9(Max Conc. mM)
- form
- A crystalline solid
- pka
- 11.98 · 11.98±0.46(Predicted)
- color
- White to off-white
- FDA UNII
- 812716 S9E · O812716S9E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSTOT SE 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMK-1064 is a selective and orally active OX2R antagonist (Ki: 0.5 nM, IC50: 18 nM). MK-1064 promotes sleep in vivo. MK-1064 can be used in the research of insomnia[1][3].
Suppliers67 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
学研惠（武汉）科技有限公司
Related reactions
2 records
Compound notes
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