MedKoo Cat#: 531382 | Name: PF-04445597
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Description:

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

PF-04445597 is a novel isonipecotic acid derivative and a potent, orally bioavailable inhibitor of cholesteryl ester transfer protein (CETP). PF-04445597 was also devoid of aldosterone secretion in human H295R adrenal carcinoma cells.

Chemical Structure

PF-04445597
CAS#949099-81-4

Theoretical Analysis

MedKoo Cat#: 531382

Name: PF-04445597

CAS#: 949099-81-4

Chemical Formula: C29H31F9N6O2

Exact Mass: 666.2365

Molecular Weight: 666.59

Elemental Analysis: C, 52.25; H, 4.69; F, 25.65; N, 12.61; O, 4.80

Price and Availability

Size Price Availability Quantity
5mg USD 500.00
25mg USD 875.00 2 Weeks
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Related CAS #
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Synonym
PF-04445597
IUPAC/Chemical Name
1-[(1S)-1-[2-[[[[3,5-Bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylpropyl]-4-piperidinecarboxylic acid
InChi Key
DZNFADLAFQEDJQ-DEOSSOPVSA-N
InChi Code
InChI=1S/C29H31F9N6O2/c1-16(2)24(43-8-6-18(7-9-43)25(45)46)23-5-4-20(27(30,31)32)12-19(23)15-44(26-39-41-42(3)40-26)14-17-10-21(28(33,34)35)13-22(11-17)29(36,37)38/h4-5,10-13,16,18,24H,6-9,14-15H2,1-3H3,(H,45,46)/t24-/m0/s1
SMILES Code
O=C(C1CCN([C@H](C2=CC=C(C(F)(F)F)C=C2CN(CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=NN(C)N=N4)C(C)C)CC1)O
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
>3 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
Biological target:
PF-04445597 is a potent, orally bioavailable inhibitor of cholesteryl ester transfer protein (CETP).
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 666.59 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
Kalgutkar AS, Frederick KS, Hatch HL, Ambler CM, Perry DA, Garigipati RS, Chang GC, Lefker BA, Clark RW, Morehouse LA, Francone O, Hu X. Identification of a novel, non-tetrahydroquinoline variant of the cholesteryl ester transfer protein (CETP) inhibitor torcetrapib, with improved aqueous solubility. Xenobiotica. 2014 Jul;44(7):591-605. doi: 10.3109/00498254.2013.874611. Epub 2013 Dec 31. PMID: 24380613.