Cas no 887650-05-7 (Lyn-IN-1)
Lyn-IN-1 structure
Product Name:Lyn-IN-1
CAS No:887650-05-7
MF:C30H31F3N8O
MW:576.615355730057
MDL:MFCD11973647
CID:69349
PubChem ID:24853523
Update Time:2024-10-26
Lyn-IN-1 Chemical and Physical Properties
Names and Identifiers
-
- Bafetinib
- N-[3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide
- (S)-N-(3-(5,5'-Bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)-pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
- 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
- Bafetinib (INNO-406,NS-187)
- BAFETINIB(INNO-406)
- INNO-406,NS-187,Bafetinib
- QCR-131
- Lyn-IN-1
- (S)-N-(3-(5,5'-bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
- BCPP000355
- isomer of bafetinib
- Bafetinib analogBafetinib analog
- SCHEM
- N-[3-([5,5′-Bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzamide (ACI)
- CS-0191
- AKOS005145758
- AC-26967
- HY-12039
- F77585
- Lyn-IN-1 (Synonyms: Bafetinib analog)?
- BCP9000374
- SCHEMBL14698142
- Benzamide,N-[3-([5,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-
- NCGC00346514-07
- NCGC00346514-09
- 887650-05-7
- AS-75179
- NSC-773263
- EX-A2862
- BCP01377
- SW220217-1
- NSC773263
- NCGC00346514-01
- BCP9000375
- INNO-406;NS-187
- N-(3-{[5,5'-BIPYRIMIDIN]-2-YLAMINO}-4-METHYLPHENYL)-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
- ZOPBZHLJXQAQON-VWLOTQADSA-N
- Q-101401
- (S)-N-(3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
- Bafetinib analog
-
- MDL: MFCD11973647
- Inchi: 1S/C30H31F3N8O/c1-19-4-7-24(11-27(19)39-29-36-14-23(15-37-29)22-12-34-18-35-13-22)38-28(42)20-5-6-21(26(10-20)30(31,32)33)16-41-9-8-25(17-41)40(2)3/h4-7,10-15,18,25H,8-9,16-17H2,1-3H3,(H,38,42)(H,36,37,39)/t25-/m0/s1
- InChI Key: ZOPBZHLJXQAQON-VWLOTQADSA-N
- SMILES: C(N1CC[C@H](N(C)C)C1)C1C=CC(C(=O)NC2C=CC(C)=C(NC3N=CC(C4C=NC=NC=4)=CN=3)C=2)=CC=1C(F)(F)F
Computed Properties
- Exact Mass: 576.25700
- Monoisotopic Mass: 576.25729213 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 42
- Rotatable Bond Count: 8
- Complexity: 864
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 99.2
- Molecular Weight: 576.6
Experimental Properties
- Density: 1.36
- PSA: 99.17000
- LogP: 5.47650
Lyn-IN-1 Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P280-P305+P351+P338
- Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Lyn-IN-1 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-12039-10mM*1mLinDMSO |
Lyn-IN-1 |
887650-05-7 | 99.58% | 10mM*1mLinDMSO |
¥1231 | 2022-05-18 | |
| MedChemExpress | HY-12039-5mg |
Lyn-IN-1 |
887650-05-7 | 98.93% | 5mg |
¥855 | 2025-04-15 | |
| MedChemExpress | HY-12039-10mg |
Lyn-IN-1 |
887650-05-7 | 98.93% | 10mg |
¥1395 | 2025-04-15 | |
| MedChemExpress | HY-12039-50mg |
Lyn-IN-1 |
887650-05-7 | 98.93% | 50mg |
¥4500 | 2025-04-15 | |
| MedChemExpress | HY-12039-100mg |
Lyn-IN-1 |
887650-05-7 | 99.58% | 100mg |
¥6700 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B127881-50mg |
Lyn-IN-1 |
887650-05-7 | ≥98% | 50mg |
¥2577.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B127881-5mg |
Lyn-IN-1 |
887650-05-7 | ≥98% | 5mg |
¥679.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B127881-10mg |
Lyn-IN-1 |
887650-05-7 | ≥98% | 10mg |
¥840.90 | 2023-09-04 | |
| ChemScence | CS-0191-5mg |
Lyn-IN-1 |
887650-05-7 | 99.58% | 5mg |
$126.0 | 2022-04-26 | |
| ChemScence | CS-0191-10mg |
Lyn-IN-1 |
887650-05-7 | 99.58% | 10mg |
$216.0 | 2022-04-26 |
Lyn-IN-1 Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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