WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125478
CAS#: 1817728-45-2 (besylate)
Description: 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.
Hodoodo Cat#: 125478
Name: Ravoxertinib besylate
CAS#: 1817728-45-2 (besylate)
Chemical Formula: C27H24ClFN6O5S
Exact Mass: 598.12
Molecular Weight: 599.030
Elemental Analysis: C, 54.14; H, 4.04; Cl, 5.92; F, 3.17; N, 14.03; O, 13.35; S, 5.35
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: | |
In vitro protocol: | |
In vivo protocol: |
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.