CAS 1613286-58-0

1,1-Dimethylethyl N-[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-6-yl]carbamate

Description:

1,1-Dimethylethyl N-[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-6-yl]carbamate, with CAS number 1613286-58-0, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carbamates and indoles. This compound features a dimethyl group, contributing to its steric bulk, and a chloromethyl group that may enhance its reactivity. The presence of hydroxyl and carbonyl functionalities suggests potential for hydrogen bonding and reactivity in various chemical environments. Its indole moieties indicate potential biological activity, as indoles are known for their roles in pharmaceuticals and natural products. The compound's solubility, stability, and reactivity would depend on the specific conditions, including solvent and temperature. Overall, this substance may have applications in medicinal chemistry, particularly in the development of therapeutic agents, although detailed studies would be necessary to elucidate its specific properties and potential uses.

Formula: C₂₇H₂₆ClN₃O₄

InChI: InChI=1S/C27H26ClN3O4/c1-27(2,3)35-26(34)29-17-9-8-15-10-21(30-20(15)11-17)25(33)31-14-16(13-28)24-19-7-5-4-6-18(19)23(32)12-22(24)31/h4-12,16,30,32H,13-14H2,1-3H3,(H,29,34)/t16-/m1/s1

InChI key: InChIKey=IVUIPHKZPNUXGG-MRXNPFEDSA-N

SMILES: C(Cl)[C@H]1C2=C(N(C(=O)C=3NC=4C(C3)=CC=C(NC(OC(C)(C)C)=O)C4)C1)C=C(O)C=5C2=CC=CC5

Synonyms:

• Duocarmycin MB
• Carbamic acid, N-[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-6-yl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[2-[[(1S)-1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz[e]indol-3-yl]carbonyl]-1H-indol-6-yl]carbamate

Duocarmycin MB

CAS: 1613286-58-0

Duocarmycin MB, an ADC toxin and DNA alkylating agent, combats multi-drug resistant cells.

Formula: C₂₇H₂₆ClN₃O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 491.97

Ref: TM-T11117