XL177A
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MedKoo CAT#: 408090

CAS#: 2417089-74-6 (S-isomer)

Description: XL177A is a potent USP7 inhibitor. XL177A irreversibly inhibits USP7 with sub-nM potency and selectivity across the human proteome. Evaluation of the cellular effects of XL177A reveals that selective USP7 inhibition suppresses cancer cell growth predominantly through a p53-dependent mechanism: XL177A specifically upregulates p53 transcriptional targets transcriptome-wide, hotspot mutations in TP53 but not any other genes predict response to XL177A across a panel of ~500 cancer cell lines, and TP53 knockout rescues XL177A-mediated growth suppression of TP53 wild-type (WT) cells.


Chemical Structure

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XL177A
CAS# 2417089-74-6 (S-isomer)

Theoretical Analysis

MedKoo Cat#: 408090
Name: XL177A
CAS#: 2417089-74-6 (S-isomer)
Chemical Formula: C48H57ClN8O5
Exact Mass: 860.414
Molecular Weight: 861.485
Elemental Analysis: C, 66.92; H, 6.67; Cl, 4.11; N, 13.01; O, 9.29

Price and Availability

Size Price Availability Quantity
50.0mg USD 1250.0 2 Weeks
100.0mg USD 1950.0 2 Weeks
200.0mg USD 2950.0 2 Weeks
500.0mg USD 4250.0 2 Weeks
1.0g USD 5650.0 2 Weeks
2.0g USD 9950.0 2 Weeks
Bulk inquiry

Related CAS #: 2417089-73-5   2417089-74-6 (S-isomer)   2417089-75-7 (R-isomer)    

Synonym: XL177A; XL-177A; XL 177A; XL177; XL-177; XL 177;

IUPAC/Chemical Name: (S)-N-(4-benzyl-5-(4-hydroxy-4-((7-(3-(4-methylpiperazin-1-yl)propanamido)-4-oxoquinazolin-3(4H)-yl)methyl)piperidin-1-yl)-5-oxopentyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide

InChi Key: UYJWYMWIVMCGQZ-DHUJRADRSA-N

InChi Code: InChI=1S/C48H57ClN8O5/c1-54-24-26-55(27-25-54)21-17-43(58)52-36-14-16-39-41(30-36)51-32-57(47(39)61)31-48(62)18-22-56(23-19-48)46(60)35(28-33-8-3-2-4-9-33)10-7-20-50-45(59)34-13-15-38-42(29-34)53-40-12-6-5-11-37(40)44(38)49/h2-4,8-9,13-16,29-30,32,35,62H,5-7,10-12,17-28,31H2,1H3,(H,50,59)(H,52,58)/t35-/m0/s1

SMILES Code: O=C(NC1=CC(N=CN2CC3(O)CCN(C([C@H](CC4=CC=CC=C4)CCCNC(C5=CC(N=C(CCCC6)C6=C7Cl)=C7C=C5)=O)=O)CC3)=C(C=C1)C2=O)CCN8CCN(C)CC8

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

Preparing Stock Solutions

The following data is based on the product molecular weight 861.485 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

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Schauer NJ, Liu X, Magin RS, et al. Selective USP7 inhibition elicits cancer cell killing through a p53-dependent mechanism. Sci Rep. 2020;10(1):5324. Published 2020 Mar 24. doi:10.1038/s41598-020-62076-x

XL177A

50.0mg / USD 1250.0


Additional Information

Ubiquitin specific peptidase 7 (USP7) is a deubiquitinating enzyme (DUB) that removes ubiquitin tags from specific protein substrates in order to alter their degradation rate and sub-cellular localization. USP7 has been proposed as a therapeutic target in several cancers because it has many reported substrates with a role in cancer progression, including FOXO4, MDM2, N-Myc, and PTEN. The multi-substrate nature of USP7, combined with the modest potency and selectivity of early generation USP7 inhibitors, has presented a challenge in defining predictors of response to USP7 and potential patient populations that would benefit most from USP7-targeted drugs.