XRN82660

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MedKoo CAT#: 573484

CAS#: 2250382-66-0

Description: 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. It has no formal code name. For the convenience of scientific communication, we temporally name it as XRN82660 based Hodoodo Chemical Nomenclature (https://hodoodo.com/hodoodo-chemical-nomenclature).


Price and Availability

Size Price Shipping out time Quantity
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Pricing updated 2020-04-07. Prices are subject to change without notice.

XRN82660 (BTK PROTAC 10) is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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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


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


Technical Data

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


References

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.