WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407194
CAS#: 1309684-94-3
Description: RO8994 is a potent and selective spiroindolinone MDM2 inhibitor, and potential useful for cancer therapy. At variance to solid tumors, which show percentage of p53 deletions and/or mutations close to 50%, more than 80% of haematological malignancies express wild-type p53 at diagnosis. Therefore, activation of the p53 pathway by antagonizing its negative regulator murine double minute 2 (MDM2) might offer a new therapeutic strategy for the great majority of haematological malignancies.
Hodoodo Cat#: H407194
Name: RO8994
CAS#: 1309684-94-3
Chemical Formula: C31H31Cl2FN4O4
Exact Mass: 612.17
Molecular Weight: 613.510
Elemental Analysis: C, 60.69; H, 5.09; Cl, 11.56; F, 3.10; N, 9.13; O, 10.43
Synonym: RO8994; RO-8994; RO 8994.
IUPAC/Chemical Name: (2'S,3R,4'R,5'R)-N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-neopentyl-2-oxospiro[indoline-3,3'-pyrrolidine]-5'-carboxamide
InChi Key: MURAVORBGFDSMA-KTHXJTJTSA-N
InChi Code: InChI=1S/C31H31Cl2FN4O4/c1-30(2,3)14-23-31(18-10-9-16(32)13-21(18)37-29(31)41)24(17-6-5-7-19(33)25(17)34)26(38-23)28(40)36-20-11-8-15(27(35)39)12-22(20)42-4/h5-13,23-24,26,38H,14H2,1-4H3,(H2,35,39)(H,36,40)(H,37,41)/t23-,24+,26+,31+/m0/s1
SMILES Code: O=C([C@H](N[C@H]1CC(C)(C)C)[C@@H](C2=CC=CC(Cl)=C2F)[C@@]31C(NC4=C3C=CC(Cl)=C4)=O)NC5=CC=C(C(N)=O)C=C5OC
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, not in water
Shelf Life: >2 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: | |
| In vitro activity: | |
| In vivo activity: |
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMF | 12.5 | 20.40 | |
| DMSO | 14.0 | 22.80 | |
| Ethanol | 5.0 | 8.10 |
The following data is based on the product molecular weight 613.51 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: Zhang Z, Ding Q, Liu JJ, Zhang J, Jiang N, Chu XJ, Bartkovitz D, Luk KC,
Janson C, Tovar C, Filipovic ZM, Higgins B, Glenn K, Packman K, Vassilev LT,
Graves B. Discovery of potent and selective spiroindolinone MDM2 inhibitor,
RO8994, for cancer therapy. Bioorg Med Chem. 2014 Aug 1;22(15):4001-9. doi:
10.1016/j.bmc.2014.05.072. Epub 2014 Jun 11. PubMed PMID: 24997575.
