Cas no 1436-44-8 (Isoquinoline-1-carboxylic acid amide)
Isoquinoline-1-carboxylic acid amide Chemical and Physical Properties
Names and Identifiers
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- 1-Isoquinolinecarboxamide
- ISOQUINOLINE-1-CARBOXAMIDE
- 1-isoquinaldamide
- Isochinolin-1-carbamid
- Isochinolin-1-carbonsaeure-amid
- Isoquinaldamide
- isoquinoline-1-carboxylic acid amide
- isoquinoline carboxamide
- NSC 115632
- MFCD00160679
- BAA43644
- NSC-115632
- DTXSID60162476
- FT-0744698
- SB33628
- 1-Isoquinolinecarboxamide #
- 1436-44-8
- AKOS010957153
- CHEMBL1874587
- MLS002704287
- SMR001570990
- NAT834YRF9
- CS-0341060
- NSC115632
- isoquinoline amide
- Z844458968
- SCHEMBL111310
- DTXCID2084967
- DB-063486
- Isoquinoline-1-carboxylic acid amide
-
- MDL: MFCD00160679
- Inchi: 1S/C10H8N2O/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9/h1-6H,(H2,11,13)
- InChI Key: YZDXFUGIDTUCDA-UHFFFAOYSA-N
- SMILES: O=C(C1C2C=CC=CC=2C=CN=1)N
Computed Properties
- Exact Mass: 172.06400
- Monoisotopic Mass: 172.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1.5
- Topological Polar Surface Area: 56A^2
Experimental Properties
- Density: 1.27
- Boiling Point: 440.9°Cat760mmHg
- Flash Point: 220.4°C
- Refractive Index: 1.678
- PSA: 55.98000
- LogP: 2.03400
Isoquinoline-1-carboxylic acid amide Customs Data
- HS CODE:2933499090
- Customs Data:
China Customs Code:
2933499090Overview:
2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Isoquinoline-1-carboxylic acid amide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189008026-5g |
Isoquinoline-1-carboxamide |
1436-44-8 | 95% | 5g |
478.38 USD | 2021-06-01 | |
| Alichem | A189008026-10g |
Isoquinoline-1-carboxamide |
1436-44-8 | 95% | 10g |
589.60 USD | 2021-06-01 | |
| Alichem | A189008026-25g |
Isoquinoline-1-carboxamide |
1436-44-8 | 95% | 25g |
1,005.00 USD | 2021-06-01 | |
| Chemenu | CM144433-5g |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 95% | 5g |
$608 | 2021-08-05 | |
| TRC | I918433-50mg |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I918433-100mg |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 100mg |
$ 95.00 | 2022-06-04 | ||
| TRC | I918433-500mg |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 500mg |
$ 320.00 | 2022-06-04 | ||
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 50R0186-1g |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 95% | 1g |
3375.21CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 50R0186-5g |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 95% | 5g |
13483.87CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 50R0186-500mg |
Isoquinoline-1-carboxylic acid amide |
1436-44-8 | 95% | 500mg |
2111.63CNY | 2021-05-07 |
Isoquinoline-1-carboxylic acid amide Suppliers
Isoquinoline-1-carboxylic acid amide Related Literature
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Nicole Parra,Julio B. Belmar,Claudio A. Jiménez,Jorge Pasán,Catalina Ruiz-Pérez CrystEngComm 2017 19 1076
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2. Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexesNicole Parra-Mu?oz,Paulina I. Hidalgo,Gerardo Ripoll,Julio Belmar,Jorge Pasán,Claudio A. Jiménez CrystEngComm 2020 22 95
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3. Application of primary halogenated hydrocarbons for the synthesis of 3-aryl and 3-alkyl indolizinesYan Liu,Huayou Hu,Junyu Zhou,Wenhui Wang,Youliang He,Chao Wang Org. Biomol. Chem. 2017 15 5016
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Raju Jannapu Reddy,Arram Haritha Kumari RSC Adv. 2021 11 9130
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Samanta Yadav,Paranthaman Vijayan,Sunil Yadav,Rajeev Gupta Dalton Trans. 2021 50 3269
Additional information on Isoquinoline-1-carboxylic acid amide
Isoquinoline-1-carboxylic acid amide (CAS No. 1436-44-8): An Overview of Its Structure, Properties, and Applications
Isoquinoline-1-carboxylic acid amide (CAS No. 1436-44-8) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmacology. This compound is characterized by its unique structure, which consists of an isoquinoline ring system linked to a carboxylic acid amide group. The isoquinoline moiety is a well-known heterocyclic aromatic compound that plays a crucial role in various biological processes and pharmaceutical applications.
The structure of Isoquinoline-1-carboxylic acid amide is defined by its molecular formula, C9H9NO2. The isoquinoline ring, which is a fused benzene and pyridine ring system, imparts significant stability and reactivity to the molecule. The carboxylic acid amide group attached to the 1-position of the isoquinoline ring further enhances its chemical versatility and biological activity. This structure allows for a wide range of functional modifications, making it an attractive candidate for drug design and development.
In terms of physical properties, Isoquinoline-1-carboxylic acid amide is a white crystalline solid with a melting point of approximately 205°C. It is sparingly soluble in water but exhibits good solubility in organic solvents such as ethanol and dimethyl sulfoxide (DMSO). These solubility characteristics are advantageous for various applications, including pharmaceutical formulations and analytical methods.
The chemical properties of Isoquinoline-1-carboxylic acid amide are influenced by its functional groups. The carboxylic acid amide group can participate in hydrogen bonding, which is essential for interactions with biological targets. Additionally, the isoquinoline ring can undergo various chemical reactions, such as oxidation, reduction, and substitution reactions. These properties make it a valuable intermediate in the synthesis of more complex molecules and derivatives.
Recent research has highlighted the potential of Isoquinoline-1-carboxylic acid amide in various biological and medicinal applications. Studies have shown that compounds derived from this scaffold exhibit potent anti-inflammatory, antiviral, and anticancer activities. For instance, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of Isoquinoline-1-carboxylic acid amide demonstrated significant inhibition of tumor growth in vitro and in vivo models. This finding underscores the potential of this compound as a lead molecule for developing novel therapeutic agents.
In the context of pharmacology, Isoquinoline-1-carboxylic acid amide has been investigated for its ability to modulate specific biological pathways. Research has shown that it can interact with key enzymes and receptors involved in cellular signaling cascades. For example, it has been found to inhibit the activity of protein kinases, which are critical regulators of cell proliferation and survival. This property makes it an attractive target for the development of targeted therapies for diseases such as cancer and autoimmune disorders.
The synthesis of Isoquinoline-1-carboxylic acid amide involves several well-established chemical reactions. One common approach is to start with an appropriate isoquinoline derivative and introduce the carboxylic acid amide functionality through a series of steps involving functional group transformations. The choice of synthetic route depends on factors such as yield, purity, and scalability. Advances in synthetic methodologies have made it possible to produce this compound with high efficiency and purity, facilitating its use in both academic research and industrial applications.
In clinical trials, compounds derived from Isoquinoline-1-carboxylic acid amide have shown promising results. Phase I trials have demonstrated their safety and tolerability at various dose levels. Preliminary data from Phase II trials suggest that these compounds may be effective in treating specific types of cancer, particularly those that are resistant to conventional therapies. Ongoing research aims to further elucidate their mechanisms of action and optimize their therapeutic potential.
The future prospects for Isoquinoline-1-carboxylic acid amide are exciting. With ongoing advancements in synthetic chemistry and drug discovery technologies, there is significant potential for developing new derivatives with enhanced pharmacological properties. Additionally, the growing understanding of its biological activities and mechanisms of action will likely lead to new applications in medicine and beyond.
In conclusion, Isoquinoline-1-carboxylic acid amide (CAS No. 1436-44-8) is a multifaceted compound with a rich structural foundation and diverse biological activities. Its unique properties make it an important molecule for both fundamental research and practical applications in the fields of chemistry, biology, and pharmacology. As research continues to advance, it is likely that this compound will play an increasingly significant role in the development of novel therapeutic agents.
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