DF-461 | CAS#937051-40-6 | squalene synthase inhibitor

MedKoo Cat#: 563262 | Name: DF-461

Description:

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

DF-461 is a squalene synthase inhibitor.

Chemical Structure

DF-461

CAS#937051-40-6

Theoretical Analysis

MedKoo Cat#: 563262

Name: DF-461

CAS#: 937051-40-6

Chemical Formula: C20H14Cl2F3N3O4

Exact Mass: 487.0313

Molecular Weight: 488.24

Elemental Analysis: C, 49.20; H, 2.89; Cl, 14.52; F, 11.67; N, 8.61; O, 13.11

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 #

937051-40-6

Synonym

DF-461; DF 461; DF461;

IUPAC/Chemical Name

2-[(4R,6S)-8-Chloro-6-(2-chloro-3-methoxyphenyl)-1-(trifluoromethyl)-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepin-4-yl]acetic acid

InChi Key

QHQPTCVXOHKDJV-RHSMWYFYSA-N

InChi Code

InChI=1S/C20H14Cl2F3N3O4/c1-31-13-4-2-3-10(16(13)22)17-11-7-9(21)5-6-12(11)28-18(14(32-17)8-15(29)30)26-27-19(28)20(23,24)25/h2-7,14,17H,8H2,1H3,(H,29,30)/t14-,17-/m1/s1

SMILES Code

O=C(O)C[C@@H]1C2=NN=C(C(F)(F)F)N2C3=CC=C(Cl)C=C3[C@@H](C4=CC=CC(OC)=C4Cl)O1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 488.24 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.

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

1: Ichikawa M, Ohtsuka M, Ohki H, Ota M, Haginoya N, Itoh M, Shibata Y, Ishigai Y, Terayama K, Kanda A, Sugita K. Discovery of DF-461, a Potent Squalene Synthase Inhibitor. ACS Med Chem Lett. 2013 Sep 4;4(10):932-6. doi: 10.1021/ml400151c. eCollection 2013 Oct 10. Erratum in: ACS Med Chem Lett. 2014 May 12;5(6):722. Usui, Hiroyuki [removed]. PubMed PMID: 24900587; PubMed Central PMCID: PMC4027440.