BIBR 1532 - ≥98% , CAS No.321674-73-1

CAS: 321674-73-1 Cat. No.: B129898 分子式: C₂₁H₁₇NO₃ 分子量: 331.36 EC番号: 962-375-5

GRADE & PURITY ≥98%

Synonyms

IBR 1532 | MFCD11112195 | 2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic acid | s1186 | Telomerase Inhibitor X, BIBR1532 | 2-{[(2e)-3-(Naphthalen-2-Yl)but-2-Enoyl]amino}benzoic Acid | (E)-2-(3-(naphthalen-2-yl)but-2-enamido)benzoic acid | BRD-K04623885-00

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

BIBR 1532 is a potent, selective, non-competitive telomerase inhibitor with IC50 of 100 nM.
A selective telomerase inhibitor.

Specifications

同義語

IBR 1532 | MFCD11112195 | 2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic acid | s1186 | Telomerase Inhibitor X, BIBR1532 | 2-{[(2e)-3-(Naphthalen-2-Yl)but-2-Enoyl]amino}benzoic Acid | (E)-2-(3-(naphthalen-2-yl)but-2-enamido)benzoic acid | BRD-K04623885-00

仕様と純度

≥98%

生化学的・生理学的メカニズム

Selective telomerase inhibitor (IC50values are 93, > 100000 and > 100000 nM for human telomerase, human RNA polymerase I and human RNA polymerase II + III respectively). Causes telomere shortening in exponentially growing NCI-H460 lung carcinoma cells and

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528763442
• カノニカル・スマイル: CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2
• IUPAC Name: 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid
• InChIKey: PGFQXGLPJUCTOI-WYMLVPIESA-N
• INCHI: 1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
• 異性体SMILES: C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2
• 分子量: 331.36
• Reaxy-Rn: 23544604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23544604&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Cinnamic acid amides Naphthalenes Benzoic acids Anilides Styrenes N-arylamides Benzoyl derivatives Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Naphthalene - Benzoic acid - Anilide - Benzoyl - N-arylamide - Styrene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

関連ターゲット（人間）

TERT Tchem Telomerase reverse transcriptase (7 Activities)

Discover Target: TERT

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

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

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

Calu-3 (339 Activities)

Explore this target

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

MCF7 (126967 Activities)

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

A549 (127892 Activities)

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

NCI-H460 (60772 Activities)

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

HeLa (62764 Activities)

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

MDA-MB-231 (73002 Activities)

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

NCI-H1650 (1118 Activities)

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

L02 (4864 Activities)

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 33.14, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.28, Max Conc. mM: 25
• 分子量: 331.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 331.121 Da
• Monoisotopic Mass: 331.121 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 527.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

参考文献

1. Shunyu Zhang, Jinxia Li, Liang Yan, Yue You, Feng Zhao, Jixing Cheng, Limin Yang, Yanqi Sun, Qingchao Chang, Ru Liu, Yunhui Li.  (2023)  Zeolitic Imidazolate Framework-8 (ZIF-8) as a Drug Delivery Vehicle for the Transport and Release of Telomerase Inhibitor BIBR 1532.  Nanomaterials,  13  (11): (1779).  [PMID:37299682] [10.3390/nano13111779]

2. Chen Li, Hui Chen, Tingting Fan, Jingru Zhao, Zheng Ding, Zeyu Lin, Shuqing Sun, Chunyan Tan, Feng Liu, Hongtao Jiang, Ying Tan.  (2023)  A visualized automatic particle counting strategy for single-cell level telomerase activity quantification.  VIEW,      [PMID:] [10.1002/VIW.20220078]

3. Lin Liu, Daohong Wu, Shuang Zhen, Kaiqing Lu, Xinyao Yi, Zhifang Sun.  (2021)  Electrochemical detection of telomerase in cancer cells based on the in-situ formation of streptavidin-biotin-DNA-biotin networks for signal amplification.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.129659]