MedKoo Cat#: 463068 | Name: PROTAC P3

Description:

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

PROTAC P3 is a novel potent epidermal growth factor receptor (EGFR) degrader, inducing EGFRdel19 and EGFRL858R/T790M degradation with DC50 values of 0.51 and 126 nM, showing potent anti-proliferative activity against HCC827 and H1975 cell lines with IC50 values of 0.83 and 203.01 nM, respectively.

Chemical Structure

PROTAC P3
PROTAC P3
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463068

Name: PROTAC P3

CAS#: unknown

Chemical Formula: C55H70N12O4S

Exact Mass: 994.5364

Molecular Weight: 995.31

Elemental Analysis: C, 66.37; H, 7.09; N, 16.89; O, 6.43; S, 3.22

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
PROTAC P3; PROTACP3; PROTAC-P3;
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(7-(4-(4-((9-cyclopentyl-8-(phenylamino)-9H-purin-2-yl)amino)phenyl)piperazin-1-yl)heptanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key
MCPFQJKJCFMAIH-CRHSMECVSA-N
InChi Code
InChI=1S/C55H70N12O4S/c1-37-48(72-36-58-37)39-21-19-38(20-22-39)33-56-51(70)46-32-44(68)35-66(46)52(71)49(55(2,3)4)62-47(69)18-10-5-6-13-27-64-28-30-65(31-29-64)42-25-23-41(24-26-42)59-53-57-34-45-50(63-53)67(43-16-11-12-17-43)54(61-45)60-40-14-8-7-9-15-40/h7-9,14-15,19-26,34,36,43-44,46,49,68H,5-6,10-13,16-18,27-33,35H2,1-4H3,(H,56,70)(H,60,61)(H,62,69)(H,57,59,63)/t44-,46+,49-/m1/s1
SMILES Code
O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8
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

Preparing Stock Solutions

The following data is based on the product molecular weight 995.31 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
1: Zhao HY, Yang XY, Lei H, Xi XX, Lu SM, Zhang JJ, Xin M, Zhang SQ. Discovery of potent small molecule PROTACs targeting mutant EGFR. Eur J Med Chem. 2020 Aug 26;208:112781. doi: 10.1016/j.ejmech.2020.112781. Epub ahead of print. PMID: 32883633.