PF-05105679

CAT: 0013-GTR19174539-09Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19174539-09Size:200 mg

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Description

PF-05105679 is a potent and selective TRPM8 antagonist with an IC50 of 103 nM. This compound is a valuable research tool for studying the role of the TRPM8 ion channel in cold sensation and cold-related pain pathologies, applicable in both in vitro and in vivo experimental models.

CAS Number

1398583-31-7

Product Name Alternative

Clinical, CMR1, cold-related, cold, pain, Inhibitor, inhibit, orally, menthol, melastatin, Transient receptor potential channels, TRPChannel, TRP Channel, TRPM8, TRPV Channel, TRPVChannel, subfamily, PF05105679, PF-05105679, PF 05105679

Field of Research

Pharmacology & Drug Discovery

Purity

99.82% (May vary between batches)

Solubility

DMSO:120 mg/mL (280.08 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (9.34 mM)

Smiles

C[C@@H] (N (Cc1cccc (c1) C (O) =O) C (=O) c1cnc2ccccc2c1) c1ccc (F) cc1

Molecular Formula

C26H21FN2O3

Molecular Weight

428.45

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pf-05105679

PF-05105679 is under investigation in clinical trial NCT01393652 (Single Dose, Dose Escalation Healthy Volunteers Study Of PF-05105679).

CAS Number	1398583-31-7
PubChem CID	60195662
IUPAC Name	3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
Molecular Formula	C26H21FN2O3
Molecular Weight	428.5
XLogP	4.7
Topological Polar Surface Area	70.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	651

SMILES

C[C@H](C1=CC=C(C=C1)F)N(CC2=CC(=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1

InChIKey

BXNMZRPTQFVRFA-QGZVFWFLSA-N

Chemical Structure

2D Structure

CAS: 1398583-31-7

CID: 60195662

Formula: C26H21FN2O3

MW: 428.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	428.15362070
Monoisotopic Mass	428.15362070
Topological Polar Surface Area	70.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	651
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19209610-01	PF-06658607
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Alternative Products

Catalog	Name
M11666-01	PF-05105679
YFC58331	PF 05105679
MBS579460	PF-03084014 (PF-3084014)
M36412-01	PF-17
M34376-01	PF-184298
M33060-01	PF-04957325
M28021-01	PF-1355
M26783-01	PF-04937319
M26368-01	PF-04885614
M24156-01	PF-9363

PF-05105679

Chemical Information

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