BIBR 1532 - ≥98% , CAS No.321674-73-1

CAS: 321674-73-1 Cat. No.: B129898 Summenformel: C₂₁H₁₇NO₃ Molekulargewicht: 331.36 EG-Nummer: 962-375-5

QUALITÄT & REINHEIT ≥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

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

BIBR 1532 ist ein potenter, selektiver, nicht-kompetitiver Telomerase-Inhibitor mit einer IC50 von 100 nM.
Ein selektiver Telomerase-Inhibitor.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Selektiver Telomerase-Inhibitor (IC50-Werte sind 93, > 100000 und > 100000 nM für menschliche Telomerase, menschliche RNA-Polymerase I und menschliche RNA-Polymerase II + III). Verursacht eine Telomerverkürzung in exponentiell wachsenden NCI-H460-Lungenka

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528763442

Kanonisches Lächeln

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+

Isomere SMILES

C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

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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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 33.14, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.28, Max Conc. mM: 25
• Molekulargewicht: 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