CAS 1398569-75-9

L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1)

Description:

L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1) is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This substance features a sulfonate group, indicating its potential solubility in polar solvents, and it may exhibit biological activity due to its structural components, which suggest interactions with biological targets. The presence of halogen atoms, such as chlorine and fluorine, may influence its reactivity and pharmacological properties. Additionally, the compound's stereochemistry, particularly the specified R and S configurations, is crucial for its biological function and efficacy. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and drug development, although specific applications and biological activities would require further investigation.

Formula: C₃₀H₃₄Cl₂FN₅O₄·C₇H₈O₃S

InChI: InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1

InChI key: InChIKey=NHIUKVHKLJSJEA-LINJWFRASA-N

SMILES: O=C1[C@@]2(C3(N[C@@H](C(N[C@@H]4CC[C@@H](C(N)=O)OC4)=O)[C@@H]2C=5C(F)=C(Cl)N=CC5)CCC(C)(C)CC3)C=6C(N1)=CC(Cl)=CC6.S(=O)(=O)(O)C1=CC=C(C)C=C1

Synonyms:

• L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1)
• Milademetan tosylate
• DS 3032b
• RAIN 32 Ts

Milademetan free base

CAS: 1398569-75-9

Milademetan (DS-3032b) is a potent MDM2 inhibitor, potentially blocking cancer growth by targeting p53 protein.

Formula: C₃₇H₄₂Cl₂FN₅O₇S

Purity: 98%

Color and Shape: Solid

Molecular weight: 790.73

Ref: TM-T24466