FT671 | CAS#1959551-26-8 | USP7 inhibitor

MedKoo Cat#: 471006 | Name: FT-671

Description:

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

FT671 is a potent and selective USP7 inhibitor with high affinity and specificity in vitro and within human cells.

Chemical Structure

FT-671

CAS#1959551-26-8

Theoretical Analysis

MedKoo Cat#: 471006

Name: FT-671

CAS#: 1959551-26-8

Chemical Formula: C24H23F4N7O3

Exact Mass: 533.1799

Molecular Weight: 533.49

Elemental Analysis: C, 54.03; H, 4.35; F, 14.24; N, 18.38; O, 9.00

Price and Availability

Size	Price	Availability
5mg	USD 150.00	Ready to ship
10mg	USD 250.00	Ready to ship
25mg	USD 550.00	Ready to ship
50mg	USD 950.00	Ready to ship
100mg	USD 1,650.00	Ready to ship

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Related CAS #

1959551-27-9 (R-isomer) 1959551-26-8

Synonym

FT671; FT 671; FT-671

IUPAC/Chemical Name

(S)-5-((1-(4,4-difluoro-3-(3-fluoro-1H-pyrazol-1-yl)butanoyl)-4-hydroxypiperidin-4-yl)methyl)-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

InChi Key

BLSNYSFLZAWBIV-SFHVURJKSA-N

InChi Code

InChI=1S/C24H23F4N7O3/c25-15-1-3-16(4-2-15)35-22-17(12-30-35)23(37)33(14-29-22)13-24(38)6-9-32(10-7-24)20(36)11-18(21(27)28)34-8-5-19(26)31-34/h1-5,8,12,14,18,21,38H,6-7,9-11,13H2/t18-/m0/s1

SMILES Code

O=C1C2=C(N=CN1CC3(CCN(CC3)C(C[C@@H](C(F)F)N4N=C(C=C4)F)=O)O)N(N=C2)C5=CC=C(C=C5)F

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

2934.99.03.00

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#YXM91115

QC Data

View QC data: current batch, Lot#YXM91115

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

FT671 is an USP7 inhibitor with an IC50 of 52 nM.

In vitro activity:

FT671 increased p53 protein levels in cell lines derived from colorectal carcinoma (HCT116) or bone osteosarcoma (U2OS) (Fig. 4a, b), leading to induction of p53 target genes including BBC3/PUMA, CDKN1A/p21, RPS27L/S27L and MDM2 (Fig. 4c, Extended Data Fig. 7c). The increase in p53 correlated with increased MDM2 degradation, which was initially balanced by p53-induced MDM2 expression but impacted on MDM2 protein levels after prolonged compound treatment (Fig. 4a, Extended Data Fig. 7d). Reference: Nature. 2017 Oct 26;550(7677):481-486. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6029662/

In vivo activity:

The in vivo anti-tumour growth activity of FT671 was tested in a MM.1S xenograft mouse model after daily dosing via oral gavage at 100 mg kg-1 and 200 mg kg-1. Treatment of mice with FT671 led to significant dose-dependent tumour growth inhibition (Fig. 5c). FT671 was well tolerated even at high doses, and no significant weight loss or cachexia was observed during the study (Fig. 5d). Reference: Nature. 2017 Oct 26;550(7677):481-486. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6029662/

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	50.0	93.72

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 533.49 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

Formulation protocol:

1. Turnbull AP, Ioannidis S, Krajewski WW, Pinto-Fernandez A, Heride C, Martin ACL, Tonkin LM, Townsend EC, Buker SM, Lancia DR, Caravella JA, Toms AV, Charlton TM, Lahdenranta J, Wilker E, Follows BC, Evans NJ, Stead L, Alli C, Zarayskiy VV, Talbot AC, Buckmelter AJ, Wang M, McKinnon CL, Saab F, McGouran JF, Century H, Gersch M, Pittman MS, Marshall CG, Raynham TM, Simcox M, Stewart LMD, McLoughlin SB, Escobedo JA, Bair KW, Dinsmore CJ, Hammonds TR, Kim S, Urbé S, Clague MJ, Kessler BM, Komander D. Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Nature. 2017 Oct 26;550(7677):481-486. doi: 10.1038/nature24451. Epub 2017 Oct 18. PMID: 29045389; PMCID: PMC6029662.

In vitro protocol:

In vivo protocol:

1. Molecular basis of USP7 inhibition by selective small-molecule inhibitors. Turnbull AP, et al. 2017, Nature. Oct 26;550(7677):481-486. doi: 10.1038/nature24451 2. Preparation of pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors. By Ioannidis, Stephanos; Talbot, Adam Charles; Follows, Bruce; Buckmelter, Alexandre Joseph; Wang, Minghua; Campbell, Ann-Marie; Schmidt, Darby Rye; Guerin, David Joseph; Caravella, Justin A.; Diebold, R. Bruce; et al. From U.S. Pat. Appl. Publ. (2016), US 20160185785 A1 20160630.