WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465201
Description: JNJ-1013 is an IRAK1 degrader. JNJ-1013 effectively degraded cellular IRAK1 protein with a DC50 of 3 nM in HBL-1 cells. Furthermore, JNJ-1013 potently inhibited IRAK1 downstream signaling pathways and demonstrated strong anti-proliferative effects in ABC DLBCL cells with MyD88 mutation. This work suggests that IRAK1 degraders have the potential for treating cancers that are dependent on the IRAK1 scaffolding function.
MedKoo Cat#: 465201
Chemical Formula: C46H55N9O7S
Exact Mass: 877.3945
Molecular Weight: 878.062
Elemental Analysis: C, 62.92; H, 6.31; N, 14.36; O, 12.75; S, 3.65
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Synonym: JNJ-1013; JNJ1013; JNJ 1013;
IUPAC/Chemical Name: N-(4-(4-(2-(((S)-1-((2S,4R)-4-hydroxy-2-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-2-oxoethoxy)piperidin-1-yl)-2-methoxyphenyl)-6-(1H-pyrazol-5-yl)picolinamide
InChi Key: MHRNVFQJUUXQIG-VIFUUBRESA-N
InChi Code: InChI=1S/C46H55N9O7S/c1-27(29-10-12-30(13-11-29)41-28(2)47-26-63-41)49-44(59)38-23-32(56)24-55(38)45(60)42(46(3,4)5)52-40(57)25-62-33-17-20-54(21-18-33)31-14-15-36(39(22-31)61-6)51-43(58)37-9-7-8-34(50-37)35-16-19-48-53-35/h7-16,19,22,26-27,32-33,38,42,56H,17-18,20-21,23-25H2,1-6H3,(H,48,53)(H,49,59)(H,51,58)(H,52,57)/t27-,32+,38-,42+/m0/s1
SMILES Code: O=C(NC1=CC=C(N2CCC(OCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)C[C@@H](O)C3)=O)=O)CC2)C=C1OC)C6=NC(C7=CC=NN7)=CC=C6
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
The following data is based on the product molecular weight 878.062 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|
1: Fu L, Zhang J, Shen B, Kong L, Liu Y, Tu W, Wang W, Cai X, Wang X, Cheng N, Xia M, Zhou T, Liu Q, Xu Y, Yang J, Gavine P, Philippar U, Attar R, Edwards JP, Venable JD, Dai X. Discovery of Highly Potent and Selective IRAK1 Degraders to Probe Scaffolding Functions of IRAK1 in ABC DLBCL. J Med Chem. 2021 Jul 19. doi: 10.1021/acs.jmedchem.1c00103. Epub ahead of print. PMID: 34279092.