MedKoo Cat#: 124817 | Name: Clesacostat tromethamine

Description:

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

Clesacostat, also known PF-05221304, is a potent and selective ACC inhibitor (hACC1 IC50 = 13nM; hACC@ IC50 = 9 nM). PF-0522130 selectively inhibits liver DNL in animals, while demonstrating considerable safety margins against platelet reduction in a nonhuman primate model.

Chemical Structure

Clesacostat tromethamine
Clesacostat tromethamine
CAS#2334472-62-5 (tris)

Theoretical Analysis

MedKoo Cat#: 124817

Name: Clesacostat tromethamine

CAS#: 2334472-62-5 (tris)

Chemical Formula: C32H41N5O8

Exact Mass: 623.3000

Molecular Weight: 623.71

Elemental Analysis: C, 61.62; H, 6.63; N, 11.23; O, 20.52

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1370448-25-1 (free) 2334472-62-5 (tris) 2334472-64-7 (tris hydrate)
Synonym
Clesacostat tromethamine; PF-05221304 tromethamine; QF09CQF4SR; Clesacostat tromethamine [USAN]; 2334472-62-5
IUPAC/Chemical Name
2-amino-2-(hydroxymethyl)propane-1,3-diol 4-(4-(1-isopropyl-7-oxo-1,4,6,7-tetrahydrospiro[indazole-5,4'-piperidine]-1'-carbonyl)-6-methoxypyridin-2-yl)benzoate
InChi Key
XFSXWQKSSSEPDH-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H30N4O5.C4H11NO3/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36;5-4(1-6,2-7)3-8/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36);6-8H,1-3,5H2
SMILES Code
CC(C)N1C2=C(CC3(CCN(CC3)C(=O)C4=CC(=NC(=C4)OC)C5=CC=C(C=C5)C(=O)O)CC2=O)C=N1.C(C(CO)(CO)N)O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 623.71 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