WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462502
CAS#: 1715025-32-3 (free base)
Description: Rineterkib, also known as LTT-462 or ERK-IN-1, is a ERK1/2 inhibitor which has demonstrated preclinical activity in multiple MAPK activated cancer cells and xenograft models. LTT462 binds to and inhibits ERK, thereby preventing the activation of ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent tumor cell proliferation and survival. The mitogen-activated protein kinase (MAPK)/ERK pathway is upregulated in numerous tumor cell types and plays a key role in tumor cell proliferation, differentiation and survival.
Hodoodo Cat#: H462502
Name: Rineterkib free base
CAS#: 1715025-32-3 (free base)
Chemical Formula: C26H27BrF3N5O2
Exact Mass: 577.13
Molecular Weight: 578.434
Elemental Analysis: C, 53.99; H, 4.71; Br, 13.81; F, 9.85; N, 12.11; O, 5.53
Related CAS #: 1715025-34-5 (HCl) 1715025-32-3 (free base) Rineterkib mesylate
Synonym: Rineterkib; ERK-IN-1; ERK IN 1; ERK IN-1; ERK-IN 1; LTT 462; LTT-462; LTT462;
IUPAC/Chemical Name: 4-{3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl}-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
InChi Key: YFCIFWOJYYFDQP-PTWZRHHISA-N
InChi Code: InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
SMILES Code: O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CNC)C2=CC=C(C3=NC([C@@H]4C[C@H](F)[C@@H](O)CC4)=CN=C3N)C=C2F
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: | Rineterkib (compound B) is an active RAF and ERK1/2 inhibitor in the study of a proliferative disease characterized by activating mutations in the MAPK pathway. |
In vitro activity: | TBD |
In vivo activity: | TBD |
Solvent | Max Conc. mg/mL | Max Conc. mM | |
---|---|---|---|
Solubility | |||
DMSO | 0.0 | 0.00 |
The following data is based on the product molecular weight 578.43 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: | TBD |
In vitro protocol: | TBD |
In vivo protocol: | TBD |
https://ascopubs.org/doi/abs/10.1200/JCO.2020.38.15_suppl.3640