Account 3-((11-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl)methyl)benzoic acid
- Catalog No. :
- ACRCLG331
- CAS No. :
- 1810769-31-3
- Molecular Formula :
- C37H39ClN4O4
- Molecular Weight :
- 639.20
IUPAC Name:3-((11-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl)methyl)benzoic acid
![3-((11-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl)methyl)benzoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-((11-(3-(4-Chloro-3,5-dimethylphenoxy)propyl)-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl)methyl)benzoic acid |
|---|---|
| IUPAC Name | 3-((11-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl)methyl)benzoic acid |
| Molecular Formula | C37H39ClN4O4 |
| Molecular Weight | 639.20 |
| SMILES | CC1=NN(C)C(C)=C1C(C=CC=C23)=C2N4CCCN(CC5=CC(C(O)=O)=CC=C5)C(C4=C3CCCOC6=CC(C)=C(Cl)C(C)=C6)=O |
| InChI Key | VMBSCFPYXBSHSU-UHFFFAOYSA-N |
| Synonym | Mcl1-IN-9;Benzoic acid, 3-[[11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4,5-dihydro-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl]methyl]-;Mcl1 IN 9,Mcl-1-IN-9,Mcl1IN9 |
| CAS No. | 1810769-31-3 |
Synthetic Route by SureRoute
2. ACRCLG331 Molecular Building Block Synthetic Route
(R)-3-(7-Chloro-10-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl)-1-methyl-1H-indole-5-carboxylic acid
dMCL1-2
A-1208746