Cas no 501000-36-8 (Dutacatib)
Dutacatib structure
Product Name:Dutacatib
CAS No:501000-36-8
MF:C23H31N7O
MW:421.53854393959
CID:68304
PubChem ID:11560842
Update Time:2025-04-18
Dutacatib Chemical and Physical Properties
Names and Identifiers
-
- Dutacatib
- N-[[2-Cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
- UNII-L3M76J6S37
- SCHEMBL4577579
- FT-0741193
- L3M76J6S37
- N-({2-Cyano-4-[(2,2-dimethylpropyl)imino]-1,4-dihydropyrimidin-5-yl}methyl)-4-(4-methylpiperazin-1-yl)benzamide
- Benzamide,N-[[2-cyano-4-[(2,2-dimethylpropyl)amino]-5-pyrimidinyl]methyl]-4-(4-methyl-1-piperazinyl)-
- Dutacatib [INN]
- DTXSID60964518
- N-((2-CYANO-4-((2,2-DIMETHYLPROPYL)AMINO)PYRIMIDIN-5-YL)METHYL)-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE
- Q27282659
- 501000-36-8
- N-((2-Cyano-4-(neopentylamino)pyrimidin-5-yl)methyl)-4-(4-methylpiperazin-1-yl)benzamide
- PD129552
-
- Inchi： 1S/C23H31N7O/c1-23(2,3)16-27-21-18(14-25-20(13-24)28-21)15-26-22(31)17-5-7-19(8-6-17)30-11-9-29(4)10-12-30/h5-8,14H,9-12,15-16H2,1-4H3,(H,26,31)(H,25,27,28)
- InChI Key： IRWDVLZZYSYUAI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)N1CCN(C)CC1)NCC1=CN=C(C#N)N=C1NCC(C)(C)C
Computed Properties
- Exact Mass: 421.25900
- Monoisotopic Mass: 421.25900864g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 624
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: 3.6
- Topological Polar Surface Area: 97.2?2
Experimental Properties
- Density: 1.21
- PSA: 97.18000
- LogP: 2.95488
Dutacatib Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM167602-100mg |
N-((2-cyano-4-(neopentylamino)pyrimidin-5-yl)methyl)-4-(4-methylpiperazin-1-yl)benzamide |
501000-36-8 | 97% | 100mg |
$2710 | 2024-07-16 |
Dutacatib Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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