MedKoo Cat#: 125478 | Name: Ravoxertinib besylate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Ravoxertinib also known as GDC-0994, GDC994 and RG7842, is an orally available inhibitor of extracellular signal-regulated kinase (ERK), with potential antineoplastic activity. Upon oral administration, GDC-0994 inhibits both ERK phosphorylation and activation of ERK-mediated signal transduction pathways. This prevents ERK-dependent tumor cell proliferation and survival. The mitogen-activated protein kinase (MAPK)/ERK pathway is upregulated in a variety of tumor cell types and plays a key role in tumor cell proliferation, differentiation and survival.

Chemical Structure

Ravoxertinib besylate
Ravoxertinib besylate
CAS#1817728-45-2 (besylate)

Theoretical Analysis

MedKoo Cat#: 125478

Name: Ravoxertinib besylate

CAS#: 1817728-45-2 (besylate)

Chemical Formula: C27H24ClFN6O5S

Exact Mass: 598.1200

Molecular Weight: 599.03

Elemental Analysis: C, 54.14; H, 4.04; Cl, 5.92; F, 3.17; N, 14.03; O, 13.35; S, 5.35

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1453848-26-4 (free base) 1817728-45-2 (besylate) 1817728-47-4 (tosylate) 2070009-58-2 (HCl)
Synonym
Ravoxertinib besylate; 1817728-45-2; GDC-0994benzenesulfonicacidsalt; TMG3621R53
IUPAC/Chemical Name
(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one benzenesulfonate
InChi Key
TWSFAQBOAWKKIH-GMUIIQOCSA-N
InChi Code
InChI=1S/C21H18ClFN6O2.C6H6O3S/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;7-10(8,9)6-4-2-1-3-5-6/h2-11,18,30H,12H2,1H3,(H,24,26,27);1-5H,(H,7,8,9)/t18-;/m1./s1
SMILES Code
OS(=O)(C1=CC=CC=C1)=O.CN2N=CC=C2NC3=NC(C4=CC(N([C@@H](C5=CC=C(C(F)=C5)Cl)CO)C=C4)=O)=CC=N3
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 599.03 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
 1: Blake JF, Burkard M, Chan J, Chen H, Chou KJ, Diaz D, Dudley DA, Gaudino JJ, Gould SE, Grina J, Hunsaker T, Liu L, Martinson M, Moreno D, Mueller L, Orr C, Pacheco P, Qin A, Rasor K, Ren L, Robarge K, Shahidi-Latham S, Stults J, Sullivan F, Wang W, Yin J, Zhou A, Belvin M, Merchant M, Moffat J, Schwarz JB. Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J Med Chem. 2016 Jun 23;59(12):5650-60. doi: 10.1021/acs.jmedchem.6b00389. Epub 2016 Jun 7. PubMed PMID: 27227380.