WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H463068
CAS#: unknown
Description: 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.
Hodoodo Cat#: H463068
Name: PROTAC P3
CAS#: unknown
Chemical Formula: C55H70N12O4S
Exact Mass: 994.54
Molecular Weight: 995.305
Elemental Analysis: C, 66.37; H, 7.09; N, 16.89; O, 6.43; S, 3.22
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
