Enbezotinib
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MedKoo CAT#: 208411

CAS#: 2359649-81-1 (RSS-isomer)

Description: Enbezotinib, also known as TPX-0046, is a novel and potent RET/SRC inhibitor for RET-driven cancers. In enzymatic assays, TPX-0046 demonstrated low nanomolar potency against WT and many mutated RETs, as well as SRC, and is VEGFR2-sparing. TPX-0046 potently inhibited RET phosphorylation and cell proliferation in in-house engineered Ba/F3 KIF5B-RET, TT, and LC2/ad cells with IC50s of approximately 1 nM. TPX-0046 is potent against the SFM G810R in Ba/F3 cell proliferation assay with a mean IC50 of 17 nM, whereas comparable proxy molecules for BLU-667 and LOXO-292 have IC50s >500 nM. TPX-0046 demonstrated marked anti-tumor efficacy in vivo in multiple RET-driven cancer cell-derived and patient-derived xenograft tumor models.


Chemical Structure

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Enbezotinib
CAS# 2359649-81-1 (RSS-isomer)

Theoretical Analysis

MedKoo Cat#: 208411
Name: Enbezotinib
CAS#: 2359649-81-1 (RSS-isomer)
Chemical Formula: C21H21FN6O3
Exact Mass: 424.1659
Molecular Weight: 424.44
Elemental Analysis: C, 59.43; H, 4.99; F, 4.48; N, 19.80; O, 11.31

Price and Availability

Size Price Availability Quantity
10.0mg USD 950.0 2 Weeks
25.0mg USD 1650.0 2 Weeks
50.0mg USD 2950.0 2 Weeks
100.0mg USD 4650.0 2 Weeks
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Related CAS #: 2359650-19-2 (SRR-isomer)   2359649-81-1 (RSS-isomer)   Enbezotinib HCl  

Synonym: TPX-0046; TPX 0046; TPX0046; Enbezotinib;

IUPAC/Chemical Name: (13E,14E,15aR,18aS,5S)-35-Fluoro-5-methyl-15,15a,16,17,18,18a-hexahydro-4-oxa-7-aza-1(5,3)-cyclopenta[b]pyrazolo[1',5':1,2]pyrimido[4,5-e][1,4]oxazina-3(3,2)-pyridinacyclooctaphan-8-one

InChi Key: BYYQDEOVMILBQT-XZJROXQQSA-N

InChi Code: InChI=1S/C21H21FN6O3/c1-11-6-23-20(29)14-8-25-28-10-17-19(26-18(14)28)27(15-3-2-4-16(15)31-17)9-12-5-13(22)7-24-21(12)30-11/h5,7-8,10-11,15-16H,2-4,6,9H2,1H3,(H,23,29)/t11-,15+,16-/m0/s1

SMILES Code: FC1=CC(CN2[C@H](CCC3)[C@H]3OC(C2=N4)=CN5C4=C6C=N5)=C(O[C@@H](C)CNC6=O)N=C1

Appearance: To be determined

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 424.44 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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Repetto M, Crimini E, Ascione L, Boscolo Bielo L, Belli C, Curigliano G. The return of RET GateKeeper mutations? an in-silico exploratory analysis of potential resistance mechanisms to novel RET macrocyclic inhibitor TPX-0046. Invest New Drugs. 2022 Oct;40(5):1133-1136. doi: 10.1007/s10637-022-01259-x. Epub 2022 May 25. PMID: 35612671.