Cas no 149505-72-6 (3'-Aminobiphenyl-4-carbonitrile)
3'-Aminobiphenyl-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- [1,1'-Biphenyl]-4-carbonitrile,3'-amino-
- 3'-AMINOBIPHENYL-4-CARBONITRILE
- 4-(3-aminophenyl)benzonitrile
- 3'-amino(1,1'-biphenyl)-4-carbonitrile
- 3-amino-4'-cyano-biphenyl
- 3'-Amino-biphenyl-4-carbonitrile
- 3'-Amino[1,1'-biphenyl]-4-carbonitrile
- AKOS BAR-0468
- SALOR-INT L300705-1EA
- 3-Amino-4'-cyanobiphenyl
- 3'-AMINO-[1,1'-BIPHENYL]-4-CARBONITRILE
- 3μ-Amino-[1,1μ-biphenyl]-4-carbonitrile, 3μ-Aminobiphenyl-4-carbonitrile
- FMVREQADBPVLTH-UHFFFAOYSA-N
- 149505-72-6
- J-008596
- AKOS004114095
- CS-0337141
- ZFA50572
- [1,1'-Biphenyl]-4-carbonitrile, 3'-amino-
- 4-(3-Aminophenyl)benzonitrile, 97%
- FT-0692068
- BB 0222796
- SCHEMBL1143483
- MFCD04117355
- DTXSID10373338
- AS-75648
- 3/'-AMINOBIPHENYL-4-CARBONITRILE
- 3'-Aminobiphenyl-4-carbonitrile
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- MDL: MFCD04117355
- Inchi: 1S/C13H10N2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8H,15H2
- InChI Key: FMVREQADBPVLTH-UHFFFAOYSA-N
- SMILES: NC1=CC=CC(=C1)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 194.08400
- Monoisotopic Mass: 194.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 245
- 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
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 2.6
Experimental Properties
- Density: 1.18±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 119-123?°C (lit.)
- Boiling Point: 414.8°C at 760 mmHg
- Flash Point: 204.6°C
- Refractive Index: 1.649
- Solubility: Almost insoluble (0.062 g/l) (25 o C),
- PSA: 49.81000
- LogP: 3.38868
3'-Aminobiphenyl-4-carbonitrile Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H318-H400
- Warning Statement: P273-P280-P305+P351+P338
- Hazardous Material transportation number:UN 3077 9/PG 3
- WGK Germany:3
- Hazard Category Code: 41-50
- Safety Instruction: S26
-
Hazardous Material Identification:
- Safety Term:S26-39-60-61
- Risk Phrases:R41
3'-Aminobiphenyl-4-carbonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3'-Aminobiphenyl-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 020759-1g |
3'-Amino-biphenyl-4-carbonitrile |
149505-72-6 | 95% | 1g |
£117.00 | 2022-03-01 | |
| Fluorochem | 020759-5g |
3'-Amino-biphenyl-4-carbonitrile |
149505-72-6 | 95% | 5g |
£319.00 | 2022-03-01 | |
| Alichem | A019124900-250mg |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 95% | 250mg |
189.74 USD | 2021-06-16 | |
| Alichem | A019124900-1g |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 95% | 1g |
469.35 USD | 2021-06-16 | |
| Alichem | A019124900-5g |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 95% | 5g |
1,380.20 USD | 2021-06-16 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 644056-1G |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 97% | 1G |
¥2822.25 | 2022-02-24 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | A919824-250mg |
3'-Amino-[1,1'-biphenyl]-4-carbonitrile |
149505-72-6 | 95% | 250mg |
¥1,219.50 | 2022-09-29 | |
| TRC | A601873-10mg |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 10mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A601873-50mg |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 50mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A601873-100mg |
3'-Aminobiphenyl-4-carbonitrile |
149505-72-6 | 100mg |
$ 80.00 | 2022-06-08 |
3'-Aminobiphenyl-4-carbonitrile Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
Additional information on 3'-Aminobiphenyl-4-carbonitrile
Recent Advances in the Study of 3'-Aminobiphenyl-4-carbonitrile (CAS: 149505-72-6) in Chemical Biology and Pharmaceutical Research
The compound 3'-Aminobiphenyl-4-carbonitrile (CAS: 149505-72-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. This heterocyclic compound, characterized by its biphenyl core and nitrile functional group, has been investigated for its unique chemical properties and biological activities. Recent studies have explored its role as a key intermediate in the synthesis of novel therapeutic agents, particularly in the context of kinase inhibitors and anti-inflammatory drugs.
A 2023 study published in the Journal of Medicinal Chemistry highlighted the use of 3'-Aminobiphenyl-4-carbonitrile as a scaffold for designing selective kinase inhibitors. The researchers demonstrated that modifications at the amino and nitrile groups could significantly enhance binding affinity to specific kinase targets, offering a promising avenue for treating cancers and autoimmune diseases. The study also noted the compound's favorable pharmacokinetic properties, including good oral bioavailability and metabolic stability, which are critical for drug development.
In addition to its role in kinase inhibition, 3'-Aminobiphenyl-4-carbonitrile has been investigated for its anti-inflammatory properties. A recent preprint on bioRxiv reported that derivatives of this compound exhibited potent inhibitory effects on pro-inflammatory cytokines such as TNF-α and IL-6. The study utilized in vitro and in vivo models to validate these effects, suggesting potential applications in treating chronic inflammatory conditions like rheumatoid arthritis and inflammatory bowel disease.
Another area of interest is the compound's utility in chemical biology probes. A 2024 publication in ACS Chemical Biology described the development of fluorescently labeled 3'-Aminobiphenyl-4-carbonitrile derivatives for real-time imaging of cellular processes. These probes were shown to selectively bind to specific protein targets, enabling researchers to visualize and study dynamic interactions within living cells. This advancement opens new possibilities for understanding complex biological pathways and identifying novel drug targets.
Despite these promising findings, challenges remain in optimizing the compound's selectivity and minimizing off-target effects. Ongoing research aims to address these issues through structural modifications and advanced computational modeling. For instance, a recent collaboration between academic and industrial researchers has employed machine learning algorithms to predict the most effective derivatives of 3'-Aminobiphenyl-4-carbonitrile, accelerating the drug discovery process.
In conclusion, 3'-Aminobiphenyl-4-carbonitrile (CAS: 149505-72-6) represents a versatile and valuable compound in chemical biology and pharmaceutical research. Its applications span from drug development to chemical probes, with ongoing studies continually uncovering new potentials. Future research will likely focus on refining its therapeutic efficacy and expanding its utility in addressing unmet medical needs.
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