1,2,4-Benzotriazin-3-amine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]
![1,2,4-Benzotriazin-3-amine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl] Structure](https://image.chemsrc.com/caspic/024/867331-63-3.png)
1,2,4-Benzotriazin-3-amine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl] structure
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Common Name | 1,2,4-Benzotriazin-3-amine, 7-(2-chloro-5-Methoxyphenyl)-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl] | ||
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| CAS Number | 867331-63-3 | Molecular Weight | 489.99700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C27H28ClN5O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine, also known as 1,2,4-Benzotriazin-3-amine, 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, CAS number 867331-63-3, with molecular formula C27H28ClN5O2 and molecular weight 489.99700. It appears as a solid. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C27H28ClN5O2 |
|---|---|
| Molecular Weight | 489.99700 |
| Exact Mass | 489.19300 |
| PSA | 72.40000 |
| LogP | 5.89130 |
| InChIKey | OJBBZIACVFADED-UHFFFAOYSA-N |
| SMILES | COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCCN5CCCC5)cc4)nnc3c2)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~52%
1,2,4-Benzotria... CAS#:867331-63-3 |
| Literature: Palanki, Moorthy S. S.; Akiyama, Hideo; Campochiaro, Peter; Cao, Jianguo; Chow, Chun P.; Dellamary, Luis; Doukas, John; Fine, Richard; Gritzen, Colleen; Hood, John D.; Hu, Steven; Kachi, Shu; Kang, Xinshan; Klebansky, Boris; Kousba, Ahmed; Lohse, Dan; Chi, Ching Mak; Martin, Michael; McPherson, Andrew; Pathak, Ved P.; Renick, Joel; Soll, Richard; Umeda, Naoyasu; Yee, Shiyin; Yokoi, Katsutoshi; Zeng, Binqi; Zhu, Hong; Noronha, Glenn Journal of Medicinal Chemistry, 2008 , vol. 51, # 6 p. 1546 - 1559 |
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~54%
1,2,4-Benzotria... CAS#:867331-63-3 |
| Literature: TargeGen, Inc. Patent: US2005/245524 A1, 2005 ; Location in patent: Page/Page column 69 ; US 20050245524 A1 |
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~%
1,2,4-Benzotria... CAS#:867331-63-3 |
| Literature: Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 602 - 608 |
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~%
1,2,4-Benzotria... CAS#:867331-63-3 |
| Literature: Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 602 - 608 |
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~%
1,2,4-Benzotria... CAS#:867331-63-3 |
| Literature: Noronha, Glenn; Barrett, Kathy; Boccia, Antonio; Brodhag, Tessa; Cao, Jianguo; Chow, Chun P.; Dneprovskaia, Elena; Doukas, John; Fine, Richard; Gong, Xianchang; Gritzen, Colleen; Gu, Hong; Hanna, Ehab; Hood, John D.; Hu, Steven; Kang, Xinshan; Key, Jann; Klebansky, Boris; Kousba, Ahmed; Li, Ge; Lohse, Dan; Mak, Chi Ching; McPherson, Andrew; Palanki, Moorthy S.S.; Pathak, Ved P.; Renick, Joel; Shi, Feng; Soll, Richard; Splittgerber, Ute; Stoughton, Silva; Tang, Suhan; Yee, Shiyin; Zeng, Binqi; Zhao, Ningning; Zhu, Hong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 3 p. 602 - 608 |
![7-(2-CHLORO-5-METHOXYPHENYL)-5-METHYLBENZO[E][1,2,4]TRIAZIN-3-AMINE structure](https://image.chemsrc.com/caspic/201/867330-72-1.png)
![1-[2-(4-Bromophenoxy)ethyl]pyrrolidine structure](https://image.chemsrc.com/caspic/084/1081-73-8.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 1 | |
CAS#:867334-05-2This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by l...
Source: ChEMBL
Target: Proto-oncogene tyrosine-protein kinase Src
External Id: CHEMBL3883087
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Name: Inhibition of Src
Source: ChEMBL
Target: Proto-oncogene tyrosine-protein kinase Src
External Id: CHEMBL905921
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Name: Luciferase-Based Assay from US Patent US8481536: "Benzotriazine inhibitors of kinases...
Source: BindingDB
Target: N/A
External Id: BindingDB_5868_1
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine |
| [7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine |
| 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: Polar surface area (PSA) of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is 72.40000. |
| Q: What is the molecular weight of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: Molecular weight of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is 489.99700. |
| Q: What is the molecular formula of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: Molecular formula of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is C27H28ClN5O2. |
| Q: What are the downstream products of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: Related downstream products(CAS) of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine: 867334-05-2. |
| Q: What is the CAS number of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: CAS number of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is 867331-63-3. |
| Q: What English synonyms does 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine have? |
| A: English synonyms of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine: 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-ylamine, [7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine, 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine. |
| Q: What is the English name of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: The English name of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine. |
| Q: What is the InChIKey of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: InChIKey of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is OJBBZIACVFADED-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: SMILES notation of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine is COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(OCCN5CCCC5)cc4)nnc3c2)c1. |
| Q: What are the upstream materials of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine? |
| A: Related upstream materials(CAS) of 7-(2-chloro-5-methoxyphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine: 867330-72-1;1081-73-8;677297-87-9;77811-44-0;867330-26-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |