Lomeguatrib - 10mM in DMSO , CAS No.192441-08-0

CAS: 192441-08-0 Cat. No.: L422355 Fórmula: C₁₀H₈BrN₅OS Peso molecular: 326.17 Número CE: 803-287-8

GRADE & PURITY 10mM in DMSO

Synonyms

NSC787251 | NSC-787251 | 6-(4-Bromothenyloxy)-7H-purin-2-amine | 6-((4-bromothiophen-2-yl)methoxy)-9H-purin-2-amine | Lomeguatrib [INN] | S79265T71M | SMR004701339 | 2-Amino-6-[(4-bromo-2-thienyl)methoxy]-9H-purine | HY-13668 | Lomeguatrib, >=98% (HPLC) |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Lomeguatrib is a potent inhibitor of O6-alkylguanine-DNA-alkyltransferase with IC50 of 5 nM.
A monosaccharide-linked inhibitor of MGMT.

Specifications

Sinónimos

NSC787251 | NSC-787251 | 6-(4-Bromothenyloxy)-7H-purin-2-amine | 6-((4-bromothiophen-2-yl)methoxy)-9H-purin-2-amine | Lomeguatrib [INN] | S79265T71M | SMR004701339 | 2-Amino-6-[(4-bromo-2-thienyl)methoxy]-9H-purine | HY-13668 | Lomeguatrib, >=98% (HPLC) |

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Lomequartrib is an inhibitor of O6 methylguanin-DNA methyltransferase (MGMT) with an IC50 value of 0.009 μM in cell-free extracts from HeLa S3 cells.Potent O 6 -methylguanine-DNA methyltransferase (MGMT) inhibitor (IC 50 = 9 nM). Inhibits recombinant huma

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Sorrisos canónicos

C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N

IUPAC Name

6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine

InChIKey

JUJPKFNFCWJBCX-UHFFFAOYSA-N

INCHI

1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)

SMILES isoméricas

C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N

WGK Alemanha

3

RTECS

UO7420000

Peso molecular

326.17

Reaxy-Rn

26263521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26263521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 Purinones
          • Level6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: Aminopyrimidines and derivatives Alkyl aryl ethers Aryl bromides Thiophenes Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hypoxanthine - Alkyl aryl ether - Aminopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Thiophene - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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

Alvos associados (humanos)

MGMT Tchem Methylated-DNA--protein-cysteine methyltransferase (2 Activities)

Discover Target: MGMT

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

MGMT Tchem 6-O-methylguanine-DNA methyltransferase (451 Activities)

Discover Target: MGMT

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 326.170 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 324.963 Da
• Monoisotopic Mass: 324.963 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 299.000
• 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

Perguntas frequentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 192441-08-0, the molecular formula is C10H8BrN5OS, and the molecular weight is 326.17 g/mol. InChIKey JUJPKFNFCWJBCX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.