XRN82660 | BTK PROTAC 10 | CAS#2250382-66-0

MedKoo Cat#: 573484 | Name: XRN82660

Description:

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

XRN82660, also known as BTK PROTAC 10, is a novel potent PROTAC for BTK with DC50 of 1.1 nM in cultured Ramos cells. BTK PROTAC 10 specifically degrades BTK in vivo in a dose-dependent and tissue-biased manner by subcutaneous administration. XRN82660 was first reported in PNAS. 2018, 115(31):E7285-E7292, has CAS#2250382-66-0. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

XRN82660

CAS#2250382-66-0

Theoretical Analysis

MedKoo Cat#: 573484

Name: XRN82660

CAS#: 2250382-66-0

Chemical Formula: C47H54F2N8O13

Exact Mass: 976.3778

Molecular Weight: 976.99

Elemental Analysis: C, 57.78; H, 5.57; F, 3.89; N, 11.47; O, 21.29

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 #

No Data

Synonym

XRN82660; XRN-82660; XRN 82660; BTK PROTAC 10; BTK PROTAC-10; BTK PROTAC10;

IUPAC/Chemical Name

17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1Hisoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadec-1-yl(3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

InChi Key

XXNGOJVDXDGATG-RACIXVTASA-N

InChi Code

InChI=1S/C47H54F2N8O13/c48-30-8-12-37(34(49)27-30)70-32-9-6-29(7-10-32)41-40(43(51)59)42(50)57(54-41)31-3-2-15-55(28-31)47(63)69-26-25-68-24-23-67-22-21-66-20-19-65-18-17-64-16-14-52-35-5-1-4-33-39(35)46(62)56(45(33)61)36-11-13-38(58)53-44(36)60/h1,4-10,12,27,31,36,52H,2-3,11,13-26,28,50H2,(H2,51,59)(H,53,58,60)/t31-,36?/m1/s1

SMILES Code

O=C(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=C(F)C=C4F)C=C3)C(C(N)=O)=C2N)CCC1)OCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 976.99 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: Zorba A, Nguyen C, Xu Y, Starr J, Borzilleri K, Smith J, Zhu H, Farley KA, Ding W, Schiemer J, Feng X, Chang JS, Uccello DP, Young JA, Garcia-Irrizary CN, Czabaniuk L, Schuff B, Oliver R, Montgomery J, Hayward MM, Coe J, Chen J, Niosi M, Luthra S, Shah JC, El-Kattan A, Qiu X, West GM, Noe MC, Shanmugasundaram V, Gilbert AM, Brown MF, Calabrese MF. Delineating the role of cooperativity in the design of potent PROTACs for BTK. Proc Natl Acad Sci U S A. 2018 Jul 31;115(31):E7285-E7292. doi: 10.1073/pnas.1803662115. Epub 2018 Jul 16. PubMed PMID: 30012605; PubMed Central PMCID: PMC6077745.