- Pyrido[2,3-b]indole derivatives as kinase inhibitors and their preparation and use in the treatment of diseases, World Intellectual Property Organization, , ,
Cas no 934541-31-8 (TAK-901)
TAK-901 structure
Product Name:TAK-901
CAS No:934541-31-8
MF:C28H32N4O3S
MW:504.643685340881
MDL:MFCD18782651
CID:822530
PubChem ID:16124208
Update Time:2024-10-26
TAK-901 Chemical and Physical Properties
Names and Identifiers
-
- TAK901
- TAK-901
- 5-(3-(Ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
- 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
- 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide
- PACLITAXEL C
- 5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide (ACI)
- TAK 901
- NCGC00346645-05
- GLXC-03276
- NSC803712
- HY-12201
- WKDACQVEJIVHMZ-UHFFFAOYSA-N
- SB19309
- CHEMBL3544932
- DB12756
- EX-A874
- J-516603
- HMS3656F17
- SMR004701282
- SW220051-1
- MFCD18782651
- NSC762151
- AC-32836
- NS00072151
- SCHEMBL645679
- NSC-762151
- DB-044972
- SDCCGSBI-0654430.P001
- AS-19385
- UNII-DM9UIR23R7
- MLS006010174
- AKOS005266666
- 5-[3-(ethanesulfonyl)phenyl]-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
- NCGC00346645-01
- CCG-269734
- 934541-31-8
- Z2037281050
- s2718
- BRD-K01683783-001-02-6
- 9H-PYRIDO(2,3-B)INDOLE-7-CARBOXAMIDE, 5-(3-(ETHYLSULFONYL)PHENYL)-3,8-DIMETHYL-N-(1-METHYL-4-PIPERIDINYL)-
- DM9UIR23R7
- Q27276478
- DTXSID70583097
- CS-0243
- NCGC00346645-04
- NSC-803712
- NCGC00346645-03
-
- MDL： MFCD18782651
- Inchi： 1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
- InChI Key： WKDACQVEJIVHMZ-UHFFFAOYSA-N
- SMILES： O=C(C1C(C)=C2C(C3C(N2)=NC=C(C)C=3)=C(C2C=C(S(CC)(=O)=O)C=CC=2)C=1)NC1CCN(C)CC1
Computed Properties
- Exact Mass: 504.22000
- Monoisotopic Mass: 504.21951207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- Rotatable Bond Count: 6
- Complexity: 884
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.33
- Boiling Point: 761.7±60.0°C at 760 mmHg
- PSA: 107.03000
- LogP: 6.21100
TAK-901 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 48R0628-50mg |
TAK-901 |
934541-31-8 | 96% | 50mg |
4655.75CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 48R0628-100mg |
TAK-901 |
934541-31-8 | 96% | 100mg |
8463.46CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 48R0628-500mg |
TAK-901 |
934541-31-8 | 96% | 500mg |
25424.31CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 48R0628-1g |
TAK-901 |
934541-31-8 | 96% | 1g |
42385.16CNY | 2021-05-08 | |
| TRC | T004920-5mg |
TAK-901 |
934541-31-8 | 5mg |
$ 236.00 | 2023-04-16 | ||
| TRC | T004920-50mg |
TAK-901 |
934541-31-8 | 50mg |
$ 1832.00 | 2023-04-16 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci6412-10mg |
TAK-901 |
934541-31-8 | 98% | 10mg |
￥1669.00 | 2023-09-10 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci6412-5mg |
TAK-901 |
934541-31-8 | 98% | 5mg |
￥916.00 | 2023-09-10 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci6412-50mg |
TAK-901 |
934541-31-8 | 98% | 50mg |
￥4978.00 | 2023-09-10 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci6412-200mg |
TAK-901 |
934541-31-8 | 98% | 200mg |
￥12099.00 | 2023-09-10 |
TAK-901 Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Diisopropylethylamine , O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate Solvents: Dimethylformamide , Dichloromethane ; 30 min, rt
1.2 Reagents: Sodium bicarbonate ; basified
1.2 Reagents: Sodium bicarbonate ; basified
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Diisopropylethylamine , O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate Solvents: Dimethylformamide , Dichloromethane ; 30 min, rt
Reference
- Polymorphs of 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide for disease treatment, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
Reference
- Polymorphs of 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-n-(1-methylpiperidin-4-yl)-9h-pyrido[2,3-b]indole-7-carboxamide and methods of use therefor, United States, , ,
Production Method 4
Reaction Conditions
Reference
- Polymorphs of hydrochloride salt of 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide to treat a diseases involving kinase activity, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxi… Solvents: N-Methyl-2-pyrrolidone ; 2 h, 20 - 30 °C
1.2 Reagents: Potassium hydroxide Solvents: Water ; rt
1.2 Reagents: Potassium hydroxide Solvents: Water ; rt
Reference
- Integrated Cross-Coupling Strategy for an α-Carboline-Based Aurora B Kinase InhibitorMineno, Masahiro; Sera, Misayo; Ueda, Tsuyoshi; Mizufune, Hideya; Zanka, Atsuhiko; et al, Journal of Organic Chemistry, 2015, 80(3), 1564-1568
Production Method 6
Reaction Conditions
1.1 Reagents: Diisopropylethylamine , O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate Solvents: Dimethylformamide , Dichloromethane ; 30 min, rt
Reference
- Preparation of pyridoindoles as kinase inhibiting compounds for treating and preventing kinase-associated diseases, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
1.1 Reagents: Triethylamine , O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate Solvents: Dimethylformamide ; 2 d, rt
Reference
- Preparation of pyridoindoles as kinase inhibitors, United States, , ,
Production Method 8
Reaction Conditions
Reference
- Preparation of pyridoindoles as kinase inhibiting compounds for treating and preventing kinase-associated diseases, World Intellectual Property Organization, , ,
TAK-901 Raw materials
- 1-methylpiperidin-4-amine
- 5-[3-(ethylsulfonyl)phenyl]-4,8-dimethyl-9h-pyrido[2,3-b]indole-7 -carboxylic Acid
TAK-901 Preparation Products
TAK-901 Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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