Account FAP-IN-1
- Catalog No. :
- ACHRQE339
- CAS No. :
- 2956858-96-9
- Molecular Formula :
- C65H88F2N12O18
- Molecular Weight :
- 1363.48
IUPAC Name:2,2',2''-(10-((S)-3-((4-((2-((R)-2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-8-yl)carbamoyl)-1-(naphthalen-1-yl)-1,9,31-trioxo-12,15,18,21,24,27-hexaoxa-2,8,30-triazadotriacontan-32-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Product Information
| Product Name | FAP-IN-1 |
|---|---|
| IUPAC Name | 2,2',2''-(10-((S)-3-((4-((2-((R)-2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-8-yl)carbamoyl)-1-(naphthalen-1-yl)-1,9,31-trioxo-12,15,18,21,24,27-hexaoxa-2,8,30-triazadotriacontan-32-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
| Molecular Formula | C65H88F2N12O18 |
| Molecular Weight | 1363.48 |
| SMILES | N#C[C@H]1CC(F)(F)CN1C(=O)CNC(=O)C1=C2C=CC=C(NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)NC(=O)C3=CC=CC4=CC=CC=C34)C2=NC=C1 |
| InChI Key | QNMPHRIBWDZTLY-ZWDFXXDJSA-N |
| Synonym | FAP-IN-1;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[(30R)-30-[[[4-[[[2-[(2S)-2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-8-quinolinyl]amino]carbonyl]-32-(1-naphthalenyl)-2,24,32-trioxo-6,9,12,15,18,21-hexaoxa-3,25,31-triazadotriacont-1-yl]- |
| CAS No. | 2956858-96-9 |
Synthetic Route by SureRoute
2. ACHRQE339 Molecular Building Block Synthetic Route
(S)-4-((4-((2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-8-yl)amino)-4-oxobutanoic acid
(S)-2,2',2''-(10-(2-(4-(3-((4-((2-(2-Cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)(methyl)amino)propyl)piperazin-1-yl)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-6-(methyl(3-(piperazin-1-yl)propyl)amino)quinoline-4-carboxamide 2,2,2-trifluoroacetate