Basic information
- CAS
878811-00-8- Standard SMILES
Cc1cc(C(=O)O)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCC[C@H]3C)n2)[C@H](C)C1- InChIKey
ZCCXMOUUPUIVNZ-RTBURBONSA-N- Molecular formula
- C27H31FN6O2
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.24925241
Names & identifiers
- Preferred name
- MK-2295 free base
- IUPAC
- 6-[(3R)-4-[6-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid
- English name
- MK-2295
- Molecular formula
- C27H31FN6O2
- Molecular weight
- 490.57
Names & synonyms
878811-00-8MK-2295 free base1AOW7FGE6HUNII-1AOW7FGE6H6-((R)-4-(6-(4-Fluorophenyl)-2-((R)-2-methylpyrrolidin-1-yl)pyrimidin-4-yl)-3-methylpiperazin-1-yl)-5-methylnicotinic acid3-Pyridinecarboxylic acid, 6-((3R)-4-(6-(4-fluorophenyl)-2-((2R)-2-methyl-1-pyrrolidinyl)-4-pyrimidinyl)-3-methyl-1-piperazinyl)-5-methyl-RefChem:201792TRPV1 antagonist 56-[(3R)-4-[6-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acidSCHEMBL908261orb1304305AKOS040753094
Show more names
MK-2295MK 2295,MK22953-Pyridinecarboxylic acid, 6-[(3R)-4-[6-(4-fluorophenyl)-2-[(2R)-2-methyl-1-pyrrolidinyl]-4-pyrimidinyl]-3-methyl-1-piperazinyl]-5-methyl-
DA-58775TS-08758HY-111218CS-0034671H84797T33429
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 752
Physicochemical properties
- Boiling point
- 742.3 · 742.3±70.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
- FDA UNII
- 1 AOW7FGE6H · 1AOW7FGE6H
Chemistry & industry
Applications
UsesTRPV1 antagonist 5 (compound 1) is a potent TRPV1 antagonist[1].
Suppliers9 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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