BIBR 1532 - ≥98% , CAS No.321674-73-1

CAS: 321674-73-1 Cat. No.: B129898 Formule: C₂₁H₁₇NO₃ Poids moléculaire: 331.36 Numéro CE: 962-375-5

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528763442

Sourires canoniques

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+

Isomères SMILES

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

Poids moléculaire

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

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)

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Calu-3 (339 Activities)

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MCF7 (126967 Activities)

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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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L02 (4864 Activities)

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Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 33.14, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.28, Max Conc. mM: 25
• Poids moléculaire: 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