Account (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1h-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid
- Catalog No. :
- ACQAQO066
- CAS No. :
- 1430114-34-3
- Molecular Formula :
- C32H28ClFN8O5
- Molecular Weight :
- 659.08
IUPAC Name:(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid
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Product Information
| Product Name | (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1h-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid |
|---|---|
| IUPAC Name | (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid |
| Molecular Formula | C32H28ClFN8O5 |
| Molecular Weight | 659.08 |
| SMILES | CN1CC(N(C2=CC=CC3=C2CCN([C@@H]3C(NC4=CC=C(C=C4)C(O)=O)=O)C(/C=C/C5=C(C=CC(Cl)=C5F)N6N=NN=C6)=O)CC1)=O |
| InChI Key | WYFCZWSWFGJODV-MIANJLSGSA-N |
| Synonym | compound 55 [PMID: 29077405] | UNII-VWJ4VVZ3OU | (S,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1- yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid | GTPL9884 | (S,E)-4-(2-(3-(3-chloro-2-fluo |
| CAS No. | 1430114-34-3 |
| PubChem CID | 71548883 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACQAQO066 Molecular Building Block Synthetic Route
4-(2-(5-(4-carbamoylphenyl)-2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-oxoethyl)benzoic acid--4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-4,4-dimethyl-1-(2-(p-tolyl)acetyl)-1,2,3,4-tetrahydroisoquinolin-5-yl)-N-methylbenzamide--3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-1-(4,4-dimethyl-5-(4-nitrophenyl)-1-(2-(p-tolyl)acetyl)-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one (1/1/1)
tert-butyl 4-(2-(5-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-3-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)-2-oxoethyl)benzoate--1-(4-(2-(4-acetylphenyl)acetyl)-3-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)prop-2-en-1-one (1/1)
![(R)-N,N-Dimethyl-1-[(Rp)-1′,2-bis(diphenylphosphino)ferrocenyl]ethylamine structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/roob/74311-56-1.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260804%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260804T074240Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%2274311-56-1.png%22&x-id=GetObject&X-Amz-Signature=f85c230f5f2810c7616124030f9654fd413ab331e69ee360262d9f7cdaba85b0)
(R)-N,N-Dimethyl-1-[(Rp)-1′,2-bis(diphenylphosphino)ferrocenyl]ethylamine
![1-Dicyclohexylphosphino-1'-{(S)-{(SP)-2-[(R)-1-(dimethylamino)ethyl]Ferrocenyl}phenylphosphino}Ferrocene structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/xz17/952586-19-5.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260804%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260804T074240Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22952586-19-5.png%22&x-id=GetObject&X-Amz-Signature=2f3fd3d31c3bbeb8e3d116965f94fdc6db3010201e1ebb6a91b6b421ec78abd3)