Account Xmt-1519-conjugate-1
- Catalog No. :
- ACKUYT575
- CAS No. :
- 2720500-19-4
- Molecular Formula :
- C101H149N23O42
- Molecular Weight :
- 2357.42
IUPAC Name:3-((5-carbamoyl-1-((E)-4-(6-carbamoyl-2-(4-ethyl-2-methyloxazole-5-carboxamido)-3H-imidazo[4,5-b]pyridin-3-yl)but-2-en-1-yl)-2-(4-ethyl-2-methyloxazole-5-carboxamido)-1H-benzo[d]imidazol-7-yl)oxy)propyl ((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,7-dioxo-4-((2-oxo-2-((2-oxo-2-((2-oxo-2-(((32S,38S,39R,40R,41R)-38,39,40,41,42-pentahydroxy-2,30,35-trioxo-32-(((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-6,9,12,15,18,21,24,27-octaoxa-3,31,36-triazadotetracontyl)amino)ethyl)amino)ethyl)amino)ethyl)carbamoyl)-11,14-dioxa-3,8-diazaheptadecan-17-oyl)-L-alaninate
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Product Information
| Product Name | Xmt-1519-conjugate-1 |
|---|---|
| IUPAC Name | 3-((5-carbamoyl-1-((E)-4-(6-carbamoyl-2-(4-ethyl-2-methyloxazole-5-carboxamido)-3H-imidazo[4,5-b]pyridin-3-yl)but-2-en-1-yl)-2-(4-ethyl-2-methyloxazole-5-carboxamido)-1H-benzo[d]imidazol-7-yl)oxy)propyl ((S)-1-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,7-dioxo-4-((2-oxo-2-((2-oxo-2-((2-oxo-2-(((32S,38S,39R,40R,41R)-38,39,40,41,42-pentahydroxy-2,30,35-trioxo-32-(((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-6,9,12,15,18,21,24,27-octaoxa-3,31,36-triazadotetracontyl)amino)ethyl)amino)ethyl)amino)ethyl)carbamoyl)-11,14-dioxa-3,8-diazaheptadecan-17-oyl)-L-alaninate |
| Molecular Formula | C101H149N23O42 |
| Molecular Weight | 2357.42 |
| SMILES | C[C@@H](C(OCCCOC1=C2N(C/C=C/CN3C(NC(C4=C(CC)N=C(C)O4)=O)=NC5=CC(C(N)=O)=CN=C53)C(NC(C6=C(CC)N=C(C)O6)=O)=NC2=CC(C(N)=O)=C1)=O)NC(CCOCCOCCNC(CC[C@@H](C(NCC(NCC(NCC(NCC(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(N[C@H](C(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)CCC(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)=O)=O)=O)=O)=O)=O)NC(CN7C(C=CC7=O)=O)=O)=O)=O |
| InChI Key | PNVXQAAGASVPRX-DXOQEFCWSA-N |
| Synonym | XMT-1519 conjugate-1;D-Glucitol, 1,1′-[[N5-[(11S)-16-[[5-(aminocarbonyl)-1-[(2E)-4-[6-(aminocarbonyl)-2-[[(4-ethyl-2-methyl-5-oxazolyl)carbonyl]amino]-3H-imidazo[4,5-b]pyridin-3-yl]-2-buten-1-yl]-2-[[(4-ethyl-2-methyl-5-oxazolyl)carbonyl]amino]-1H-benzimidazol-7-yl]oxy]-11-methyl-9,12-dioxo-3,6,13-trioxa-10-azahexadec-1-yl]-N2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-glutaminylglycylglycylglycylglycyl-27-amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoyl-L-glutamoyl]diimino]bis[1-deoxy- |
| CAS No. | 2720500-19-4 |
Synthetic Route by SureRoute
2. ACKUYT575 Molecular Building Block Synthetic Route
STING agonist-20-Ala-amide-PEG2-C2-NH2
3-({5-carbamoyl-1-[(2E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-1H-1,3-benzodiazol-7-yl}oxy)propyl N-{14-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12-tetraoxatetradecan-1-yl}carbamate
(E)-N-(7-(3-Aminopropoxy)-5-carbamoyl-1-(4-(6-carbamoyl-2-(4-ethyl-2-methyloxazole-5-carboxamido)-3H-imidazo[4,5-b]pyridin-3-yl)but-2-en-1-yl)-1H-benzo[d]imidazol-2-yl)-4-ethyl-2-methyloxazole-5-carboxamide