Produkty 1949843-71-3
CAS 1949843-71-3 to numer rejestracyjny substancji Clezutoclax. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[2-[2-[(2S,3R,4R,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]ethyl]-4-[[(2S)-2-[[(2S)-2-[[2-[(3S,5S)-3-(2,5-dioxopyrrol-1-yl)-2-oxo-5-(2-sulfoethoxymethyl)pyrrolidin-1-yl]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methoxycarbonyl-[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid (CAS 1949843-71-3) to związek chemiczny o wzorze sumarycznym C83H102N12O24S2 i masie molowej 1715.9 g/mol. Nazwa systematyczna IUPAC: 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[2-[2-[(2S,3R,4R,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]ethyl]-4-[[(2S)-2-[[(2S)-2-[[2-[(3S,5S)-3-(2,5-dioxopyrrol-1-yl)-2-oxo-5-(2-sulfoethoxymethyl)pyrrolidin-1-yl]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methoxycarbonyl-[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid. InChIKey: MWBJKBCPVKUTBZ-UTMRQAAQSA-N.
| Wzór sumaryczny | C83H102N12O24S2 |
|---|---|
| Masa molowa | 1715.9 g/mol |
| Nazwa IUPAC | 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[2-[2-[(2S,3R,4R,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]ethyl]-4-[[(2S)-2-[[(2S)-2-[[2-[(3S,5S)-3-(2,5-dioxopyrrol-1-yl)-2-oxo-5-(2-sulfoethoxymethyl)pyrrolidin-1-yl]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methoxycarbonyl-[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid |
| InChIKey | MWBJKBCPVKUTBZ-UTMRQAAQSA-N |
| SMILES | CC1=C(C=NN1CC23CC4(CC(C2)(CC(C4)(C3)OCCN(CC[C@@H](CO)O)C(=O)OCC5=C(C=C(C=C5)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CN6[C@@H](C[C@@H](C6=O)N7C(=O)C=CC7=O)COCCS(=O)(=O)O)CC[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)C)C)C9=C(N=C(C=C9)N1CCC2=C(C1)C(=CC=C2)C(=O)NC1=NC2=CC=CC=C2S1)C(=O)O |
Dane obliczone przez PubChem (NCBI)
Synonimy:
Clezutoclax, orb2278506