WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H208213
CAS#: unknown
Description: RIPK2 Protac 20 possessed the best overall profile with good solubility, potent degradation of RIPK2, and associated inhibition of TNFα release. RIPK2 Protac 20 recruits members of the inhibitor of apoptosis (IAP) family of E3 ligases. This represents an attractive alternative dosing paradigm to oral delivery, especially for chronic diseases where compliance can be challenging.
Hodoodo Cat#: H208213
Name: RIPK2 Protac 20
CAS#: unknown
Chemical Formula: C50H66F2N14O7S
Exact Mass: 1,044.49
Molecular Weight: 1,045.230
Elemental Analysis: C, 57.46; H, 6.36; F, 3.64; N, 18.76; O, 10.71; S, 3.07
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Synonym: RIPK2Protac20, RIPK2Protac-20, RIPK2-Protac20
IUPAC/Chemical Name: 5-(4-(3-((6-(tert-Butylsulfonyl)-4-((4,5-dimethyl-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)piperazin-1-yl)-N-((3S,5S)-5-((2,6-difluorophenyl)carbamoyl)-1-((R)-3,3-dimethyl-2-((R)-2-(methylamino)propanamido)butanoyl)pyrrolidin-3-yl)pyrazine-2-carboxamide
InChi Key: HOCBQAJEQVABHZ-VELKCZJJSA-N
InChi Code: InChI=1S/C50H66F2N14O7S/c1-28(2)74(71,72)41-21-33-36(57-27-58-46(33)61-45-29(3)30(4)62-63-45)22-40(41)73-19-11-14-64-15-17-65(18-16-64)42-25-54-37(23-55-42)48(69)59-32-20-38(39(67)24-56-43-34(51)12-10-13-35(43)52)66(26-32)49(70)44(50(6,7)8)60-47(68)31(5)53-9/h10,12-13,21-23,25,27-28,31-32,38,44,53,56H,11,14-20,24,26H2,1-9H3,(H,59,69)(H,60,68)(H2,57,58,61,62,63)/t31-,32+,38-,44+/m1/s1
SMILES Code: FC1=C(NCC([C@H]2C[C@H](NC(C3=NC=C(N4CCN(CCCOC5=CC6=NC=NC(NC7=NNC(C)=C7C)=C6C=C5S(=O)(C(C)C)=O)CC4)N=C3)=O)CN2C([C@H](NC([C@@H](C)NC)=O)C(C)(C)C)=O)=O)C(F)=CC=C1
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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 1,045.23 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: |
Miah AH, Smith IED, Rackham M, Mares A, Thawani AR, Nagilla R, Haile PA, Votta BJ, Gordon LJ, Watt G, Denyer J, Fisher DT, Dace P, Giffen P, Goncalves A, Churcher I, Scott-Stevens P, Harling JD. Optimization of a Series of RIPK2 PROTACs. J Med Chem. 2021 Sep 9;64(17):12978-13003. doi: 10.1021/acs.jmedchem.1c01118. Epub 2021 Aug 25. PMID: 34432979.