JNJ-1013

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MedKoo CAT#: 465201

CAS#: unknown

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.


Chemical Structure

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JNJ-1013
CAS# unknown

Theoretical Analysis

MedKoo Cat#: 465201
Name: JNJ-1013
CAS#: unknown
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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

Preparing Stock Solutions

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.

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

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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.