ICA - Moligand™,≥98% , CAS No.3374-88-7

CAS: 3374-88-7 Cat. No.: I648624 분자식: C₁₃H₁₀N₄S 분자량: 254.31 PubChem CID: 772885

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

ICA (N-[4-(2-Pyridinyl)-2-thiazolyl]-2-pyridinamine) is a SK channel inhibitor and exhibits antileishmanial activity (IC50: 2.1 µM).

Specifications

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

ICA (N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine) is a SK channel inhibitor that has antileishmanial activity with an IC 50 of 2.1 µM.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC=N3
• IUPAC Name: N,4-dipyridin-2-yl-1,3-thiazol-2-amine
• InChIKey: RYCUBTFYRLAMFA-UHFFFAOYSA-N
• INCHI: 1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
• 이성체 SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC=N3
• PubChem CID: 772885
• NSC 번호: 751858
• MeSH 용어: N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
• 분자량: 254.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: 2,4-disubstituted thiazoles Imidolactams 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Imidolactam - Heteroaromatic compound - Thiazole - Azole - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (1 Activities)

Discover Target: KCNN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (3 Activities)

Discover Target: KCNN3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (2 Activities)

Discover Target: KCNN2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (20 Activities)

Discover Target: KCNN2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNN4 Tchem Intermediate conductance calcium-activated potassium channel protein 4 (87 Activities)

Discover Target: KCNN4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNN1 Tchem Small conductance calcium-activated potassium channel protein 1 (21 Activities)

Discover Target: KCNN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Huh-7 (12904 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MRC5 (9203 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KB (17409 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MECP2 Tchem Methyl-CpG-binding protein 2 (12 Activities)

Discover Target: MECP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Kcnn3 Small conductance calcium-activated potassium channel protein 3 (210 Activities)

Discover Target: Kcnn3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma brucei brucei (13300 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania donovani (89745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium yoelii (6656 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ht1 Hexose transporter 1 (14071 Activities)

Discover Target: ht1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis variant bovis BCG (1626 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : ≥ 49.5 mg/mL (194.64 mM)
• 분자량: 254.310 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 254.063 Da
• Monoisotopic Mass: 254.063 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 263.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Wenfu Lin, Yan Huang, Zhenru Li, Jiongshen Pan, Tiansheng Huang, Lili Liang, Yanzhen Tan, Jie Li, Li-Peng Sun, Bai-Ou Guan.  (2023)  ZIF-90-Derived Porous ZnO Coated Optical Microfiber Interferometer Sensor for Enhanced Humidity Sensing and Breath Monitoring.  ACS Applied Materials & Interfaces,      [PMID:37352511] [10.1021/acsami.3c06635]

2. Ting Zhang, Keli Dong, Lan Xiao, Guangcheng Li, Zhanwei Zhang.  (2022)  Effects of Co-Administration of Icariin and Panax notoginseng Saponins on Intestinal Microbiota and Hippocampal Protein Expression in a Mouse Model of Alzheimer’s Disease.  Neuropsychiatric Disease and Treatment,      [PMID:33061388] [10.2147/NDT.S253972]

3. Zhou Mengyang, Guo Min, Shi Xincui, Ma Jie, Wang Shutao, Wu Shuo, Yan Weiqun, Wu Feng, Zhang Peibiao.  (2022)  Synergistically Promoting Bone Regeneration by Icariin-Incorporated Porous Microcarriers and Decellularized Extracellular Matrix Derived From Bone Marrow Mesenchymal Stem Cells.  Frontiers in Bioengineering and Biotechnology,      [PMID:35464719] [10.3389/fbioe.2022.824025]

4. Kun Li, Yingnan Zhang, Junwei Xu, Jingxi Wang, Xuenan Gu, Ping Li, Yubo Fan.  (2021)  Three-dimensional magnetic fibrous scaffold with icariin expanded by supercritical CO2 for bone tissue engineering under static magnetic field.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2021.109304]

5. He Qi, Zheng Li, Haijiao Zheng, Qiong Jia.  (2021)  Carnosine functionalized magnetic metal–organic framework nanocomposites for synergistic enrichment of phosphopeptides.  ANALYTICA CHIMICA ACTA,      [PMID:33832591] [10.1016/j.aca.2021.338383]

6. Chenxi Yu, Wenyu Zhu, Zhaozhan He, Jin Xu, Fengyan Fang, Ziang Gao, Wenli Ding, Yixiang Wang, Jing Wang, Junqiao Wang, Ao Huang, Aohua Cheng, Yanhui Wei, Shiyun Ai.  (2021)  ATP-triggered drug release system based on ZIF-90 loaded porous poly(lactic-co-glycolic acid) microspheres.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.126255]

7. Xiaobang Liu, Ting Yue, Kai Qi, Bao Yu Xia, Zhenyu Chen, Yubing Qiu, Xingpeng Guo.  (2020)  Probe into metal-organic framework membranes fabricated via versatile polydopamine-assisted approach onto metal surfaces as anticorrosion coatings.  CORROSION SCIENCE,      [PMID:] [10.1016/j.corsci.2020.108949]

8. Xiaofeng Shen, Pengfei Yu, Hua Chen, Jiangping Wang, Binjie Lu, Xuefeng Cai, Chun Gu, Guoqiang Liang, Donglin Hao, Qihan Ma, Yuwei Li.  (2020)  Icariin controlled release on a silk fibroin/mesoporous bioactive glass nanoparticles scaffold for promoting stem cell osteogenic differentiation.  RSC Advances,  10  (20): (12105-12112).  [PMID:35496600] [10.1039/D0RA00637H]

9. Dan Zhang, Yu Fan, Gaojie Li, Wei Du, Runlong Li, Yiming Liu, Zhixuan Cheng, Jiaqiang Xu.  (2019)  Biomimetic synthesis of zeolitic imidazolate frameworks and their application in high performance acetone gas sensors.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.127187]

10. Xiaoxu Zhao, Hao Zhang, Sheng Xu, Yan Wang.  (2019)  ZIF-8 membrane synthesized via covalent-assisted seeding on polyimide substrate for pervaporation dehydration.  AICHE JOURNAL,  65  (8): (e16620).  [PMID:] [10.1002/aic.16620]

11. Haotian Li, Xinran Zhang, Xi Qi, Xu Zhu, Liming Cheng.  (2019)  Icariin Inhibits Endoplasmic Reticulum Stress-induced Neuronal Apoptosis after Spinal Cord Injury through Modulating the PI3K/AKT Signaling Pathway.  International Journal of Biological Sciences,      [PMID:30745820] [10.7150/ijbs.30348]

12. Yan Dan, He Yu, Ge Yili, Song Gongwu.  (2016)  Fluorescent Detection of Phosphate in Aqueous Solution Based on Near Infrared Emission Ag2S QDs/Metal − Organic Shell Composite.  JOURNAL OF FLUORESCENCE,  27  (1): (227-233).  [PMID:27726052] [10.1007/s10895-016-1949-2]

13. Xuan Chen, Qiang Ren, Jingmei Xu, Mengchi Ju, Lingxin Meng, Zhe Wang.  (2023)  Design, transport efficiency and structure-activity relationship of sulfonated poly (aryl ether ketone) proton exchange membrane based on multi-functional MOFs.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2023.143210]

14. Zhu Tengyang, Zhao Xiaoxu, Yi Ming, Xu Sheng, Wang Yan.  (2021)  Ternary cross-linked PVA-APTES-ZIF-90 membrane for enhanced ethanol dehydration performance.  Advanced Composites and Hybrid Materials,  5  (1): (91-103).  [PMID:] [10.1007/s42114-021-00218-z]

15. Qiufang Chen, Bin Deng, Qing Luo, Guanbin Song.  (2020)  Deep tumor‐penetrated nanosystem eliminates cancer stem cell for highly efficient liver cancer therapy.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.127874]