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MK-2295

CAT: 1410-M27996-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M27996-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-2295 is a potent TRPV1 antagonist. MK-2295 can be used in studies about the treatment of chronic pain.
CAS Number
878811-00-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
490.583
Molecular Formula
C27H31FN6O2
Notes
Research use only, not for human use.
Receptor
JAK1

Chemical Information

MK-2295 free base
CAS Number878811-00-8
PubChem CID11670376
IUPAC Name6-[(3R)-4-[6-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-3-carboxylic acid
Molecular FormulaC27H31FN6O2
Molecular Weight490.6
XLogP5
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity752
SMILES
C[C@@H]1CCCN1C2=NC(=CC(=N2)N3CCN(C[C@H]3C)C4=NC=C(C=C4C)C(=O)O)C5=CC=C(C=C5)F
InChI
InChI=1S/C27H31FN6O2/c1-17-13-21(26(35)36)15-29-25(17)32-11-12-33(19(3)16-32)24-14-23(20-6-8-22(28)9-7-20)30-27(31-24)34-10-4-5-18(34)2/h6-9,13-15,18-19H,4-5,10-12,16H2,1-3H3,(H,35,36)/t18-,19-/m1/s1
InChIKey
ZCCXMOUUPUIVNZ-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of MK-2295 free base
CAS: 878811-00-8
CID: 11670376
Formula: C27H31FN6O2
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass490.24925241
Monoisotopic Mass490.24925241
Topological Polar Surface Area85.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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