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MedKoo Cat#: 573485 | Name: PON82648

Description:

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

PON82648, also known as BTK PROTAC 9, is a PROTAC for BTK. PON82648 first described by Zorbaa etal in PNAS 2018, 115(31):E7285-E7292 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

PON82648
PON82648
CAS#2250382-64-8

Theoretical Analysis

MedKoo Cat#: 573485

Name: PON82648

CAS#: 2250382-64-8

Chemical Formula: C46H52F2N8O12

Exact Mass: 946.3673

Molecular Weight: 946.96

Elemental Analysis: C, 58.35; H, 5.54; F, 4.01; N, 11.83; O, 20.27

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 #
2250382-64-8
Synonym
BTK PROTAC 9; BTK PROTAC9;BTK PROTAC-9; PON82648; PON-82648; PON 82648;
IUPAC/Chemical Name
5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-oyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
InChi Key
PDQGUWCWGITGBA-OSRRZMJMSA-N
InChi Code
InChI=1S/C46H52F2N8O12/c47-29-8-12-36(33(48)25-29)68-31-9-6-28(7-10-31)41-40(43(50)59)42(49)56(53-41)30-3-2-15-54(26-30)38(58)27-67-24-23-66-22-21-65-20-19-64-18-17-63-16-14-51-34-5-1-4-32-39(34)46(62)55(45(32)61)35-11-13-37(57)52-44(35)60/h1,4-10,12,25,30,35,51H,2-3,11,13-24,26-27,49H2,(H2,50,59)(H,52,57,60)/t30-,35?/m1/s1
SMILES Code
O=C(C1=C(N)N([C@H]2CN(C(COCCOCCOCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CCC2)N=C1C6=CC=C(OC7=CC=C(F)C=C7F)C=C6)N
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
Proteolysis targeting chimeras (PROTACs) are heterobifunctional small molecules that simultaneously bind to a target protein and an E3 ligase, thereby leading to ubiquitination and subsequent degradation of the target. They present an exciting opportunity to modulate proteins in a manner independent of enzymatic or signaling activity. As such, they have recently emerged as an attractive mechanism to explore previously “undruggable” targets.
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 0.00
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 946.96 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
Delineating the role of cooperativity in the design of potent PROTACs for BTK By Zorbaa, Adelajda; Nguyen, Chuong; Xu, Yingrong; Starr, Jeremy; Borzilleri, Kris; Smith, James; Zhuc, Hongyao; Farley, Kathleen A.; Ding, Weidong; Schiemer, James; et al From Proceedings of the National Academy of Sciences of the United States of America (2018), 115(31), E7285-E7292

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