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Lomeguatrib

Lomeguatrib structure

CAS No:
192441-08-0
Formula:
C10H8BrN5OS
Chemical Name:
Lomeguatrib
Synonyms:
9H-Purin-2-amine,6-[(4-bromo-2-thienyl)methoxy]-;1H-Purin-2-amine,6-[(4-bromo-2-thienyl)methoxy]-;6-[(4-Bromo-2-thienyl)methoxy]-9H-purin-2-amine;Lomeguatrib;2-Amino-6-(4-bromothiophen-2-ylmethoxy)-9H-purine;PaTrin 2;793035-44-6
Categories:
Biochemical Engineering > Inhibitors

Description

Lomeguatrib is a O6-methylguanine-DNA methyltransferase (MGMT) inhibitor, with IC50s of 9 nM in cell-free assay and ∼6 nM in MCF-7 cells.

Lomeguatrib Basic Attributes

Molecular Weight：

326.17

Exact Mass：

326.17

UNII：

S79265T71M

DSSTox ID：

DTXSID60172838

Characteristics

PSA：

118

XLogP3：

Appearance：

white to beige

Density：

2.07

Boiling Point：

683.8°C at 760 mmHg

Flash Point：

367.3±34.3 °C

Refractive Index：

1.797

Water Solubility：

DMSO: soluble10mg/mL, clear

Storage Conditions：

room temp

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

RTECS Number：

UO7420000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

6-((4-bromo-2-thienyl)methoxy)purin-2-amine

Lomeguatrib Use and Manufacturing

O6-Methylguanine-DNA methyltransferase (MGMT) is a DNA repair protein which removes an alkyl group from the O6 position on guanine in an autoinactivating reaction. Although important in normal DNA repair, this reaction confers resistance to treatments that use O6-alkylating agents to produce cytotoxicity, e.g., in cancer. Lomeguatrib is a modified quanine base which acts as a pseudosubstrate inactivator of MGMT (IC50 = ~3 nM). A non-toxic compound, lomeguatrib completely inactivates MGMT in human prostate and colorectal tumors when given as a single 120 mg oral dose and in primary central nervous system cancers at 160 mg.

Computed Properties

Molecular Weight:326.17
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:324.96329
Monoisotopic Mass:324.96329
Topological Polar Surface Area:118
Heavy Atom Count:18
Complexity:299
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 192441-08-0

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