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MedKoo Cat#: 526917 | Name: PF04634817 free base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PF-04634817 is an orally administered CCR2 and CCR5 chemokine receptor antagonist, for the treatment of diabetic nephropathies and diabetic macular oedema.

Chemical Structure

PF04634817 free base
PF04634817 free base
CAS#1228111-63-4 (free base)

Theoretical Analysis

MedKoo Cat#: 526917

Name: PF04634817 free base

CAS#: 1228111-63-4 (free base)

Chemical Formula: C25H36F3N5O3

Exact Mass: 511.2770

Molecular Weight: 511.59

Elemental Analysis: C, 58.69; H, 7.09; F, 11.14; N, 13.69; O, 9.38

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Related CAS #
1228111-63-4 (free base) 2140301-98-8 (succinate)
Synonym
PF-04634817; PF 04634817; PF04634817; PF-4634817; PF 4634817; PF4634817.
IUPAC/Chemical Name
((1S,3R)-1-isopropyl-3-(((3S,4S)-3-methoxytetrahydro-2H-pyran-4-yl)amino)cyclopentyl)((1S,4S)-5-(6-(trifluoromethyl)pyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
InChi Key
MCRWZBYTLVCCJJ-DKALBXGISA-N
InChi Code
InChI=1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1
SMILES Code
O=C([C@]1(C(C)C)C[C@H](N[C@@H]2[C@H](OC)COCC2)CC1)N3[C@](C4)([H])CN(C5=NC=NC(C(F)(F)F)=C5)[C@]4([H])C3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
PF-0463481 is a potent and orally active dual CCR2/CCR5 antagonist with comparable human and rodent CCR2 potency (rat IC50=20.8 nM), and displays 10-20 fold less rodent CCR5 potency (rat IC50=470 nM).
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMSO 50.0 97.73
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 511.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD