CAS 35906-51-5

methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4aS,5aS,7S,9S,9aR,10aR)-2,9-dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6,

Description:

The chemical substance known as methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4aS,5aS,7S,9S,9aR,10aR)-2,9-dimethyl-3-oxooctahydro-2H,5aH-dipyrano[2,3-b:4',3'-e][1,4]dioxin-7-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-1,2,3,4,6 (CAS 35906-51-5) is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This substance features a combination of hydroxyl (-OH) groups, dioxo functionalities, and ether linkages, contributing to its potential biological activity. The presence of a dimethylamino group suggests possible interactions with biological systems, potentially influencing its pharmacological properties. The stereochemistry indicated by the (R) and (S) designations implies specific three-dimensional arrangements that can significantly affect the compound's reactivity and interactions with biological targets. Overall, this compound's complexity and structural features may render it of interest in medicinal chemistry and pharmacology, although specific applications would depend on further research and characterization.

Formula: C₄₂H₅₁NO₁₆

InChI: InChI=1S/C42H51NO16/c1-8-42(51)15-27(30-19(34(42)40(50)52-7)11-20-31(36(30)48)37(49)33-23(45)10-9-22(44)32(33)35(20)47)57-28-12-21(43(5)6)38(17(3)53-28)58-29-14-25-39(18(4)54-29)59-41-26(56-25)13-24(46)16(2)55-41/h9-11,16-18,21,25-29,34,38-39,41,44-45,48,51H,8,12-15H2,1-7H3/t16-,17-,18-,21-,25-,26-,27-,28-,29-,34-,38+,39+,41-,42+/m0/s1

InChI key: InChIKey=ZBDDFHXUDIPRSM-DQCCILMQSA-N

SMILES: O([C@@H]1C2=C([C@@H](C(OC)=O)[C@](CC)(O)C1)C=C3C(=C2O)C(=O)C=4C(C3=O)=C(O)C=CC4O)[C@H]5C[C@H](N(C)C)[C@H](O[C@H]6C[C@]7([C@@]([C@H](C)O6)(O[C@]8([C@@](O7)(CC(=O)[C@H](C)O8)[H])[H])[H])[H])[C@H](C)O5

Synonyms:

• 1-Naphthacenecarboxylic acid, 4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
• 2H,7H-Dipyrano[2,3-b:4′,3′-e][1,4]dioxin, 1-naphthacenecarboxylic acid deriv.
• 1-Naphthacenecarboxylic acid, 4-[[[2′′′,3′′-anhydro]-O-3,6-dideoxy-α-L-erythro-hexopyranos-4-ulos-1-yl-(1→4)-O-2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1→4)-2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
• Cinerubin B
• Cinerubine B

Cinerubin B

CAS: 35906-51-5

Formula: C₄₂H₅₁NO₁₆

Purity: 93.23%

Color and Shape: Reddish orange. Powder

Molecular weight: 826.0

Ref: 8R-JU0016

Cinerubin B

CAS: 35906-51-5

Cinerubin B is a glycosylated anthracycline antibiotic that exhibits anticancer activity. It is derived from Streptomyces sp. SPB74.

Formula: C₄₂H₅₁NO₁₆

Color and Shape: Solid

Molecular weight: 825.861

Ref: TM-T40457

Cinerubin B

CAS: 35906-51-5

Cinerubin B is an anthracycline antibiotic, which is isolated from the bacterium Streptomyces coeruleorubidus. Its primary mode of action involves intercalating into DNA strands, thereby disrupting the replication and transcription processes within rapidly dividing cancer cells. Cinerubin B specifically interferes with topoisomerase II, an enzyme critical for DNA unwinding, ultimately leading to cytotoxic effects and cell apoptosis in targeted tumor cells.

Formula: C₄₂H₅₁NO₁₆

Purity: Min. 95%

Molecular weight: 825.80 g/mol

Ref: 3D-KBA90651