8-Hydroxy-2-methyl-4(3H)-quinazolinone

HCID 135398517CAS 90417-38-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc2c(O)cccc2c(=O)[nH]1
InChIKey
YJDAOHJWLUNFLX-UHFFFAOYSA-N
Molecular formula
C9H8N2O2
Average molar mass
176.17 g/mol
Monoisotopic mass
176.0585775

Overview

NU 1025 is a member of the class of quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against poly(ADP-ribose) polymerase. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is a member of phenols and a member of quinazolines.

Names & identifiers

Preferred name
8-Hydroxy-2-methyl-4(3H)-quinazolinone
IUPAC
8-hydroxy-2-methyl-3H-quinazolin-4-one
English name
NU1025
Molecular formula
C9H8N2O2
Molecular weight
176.17

Names & synonyms

90417-38-2NU1025Nu 10258-HYDROXY-2-METHYL-4(3H)-QUINAZOLINONENU-1025X5ZL2C7V9BNSC-6968074(1H)-Quinazolinone, 8-hydroxy-2-methyl-CHEBI:75399DTXSID20238166RefChem:854941DTXCID40160657
Show more names
NSC 696807NU1025 ，S7730NU1025 USP/EP/BPNU1025 (NSC 696807)NU1025, 10 mM in DMSOPARP Inhibitor VI, NU10258-Hydroxy-2-methylquinazolin-4(3H)
8-hydroxy-2-methyl-3-hydroquinazolin-4-one8-Hydroxy-2-methylquinazolin-4(3H)-one8-Hydroxy-2-methylquinazoline-4-one8-hydroxy-2-methyl-1H-quinazolin-4-one8-Hydroxy-2-methyl-3H-quinazolin-4-one8-hydroxy-2-methylquinazolin-4(1H)-oneMFCD009425558-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE

Database identifiers

CAS
90417-38-2
PubChem CID
135398517
DTXSID
DTXSID20238166
ChEMBL
CHEMBL123904
ChEBI
CHEBI:75399
UNII
X5ZL2C7V9B
EC Number
635-868-5
Nikkaji
J708.196K

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
61.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point
253 · 253-258°C
Boiling point
345.4 · 345.4±44.0 °C(Predicted)
Density
1.42 · 1.42
storage temp.
20 °C · −20°C
solubility
35 mg/mL, · DMSO: 35 mg/mL, soluble
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29335990
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

DescriptionNU 1025 is an inhibitor of poly(ADP-ribose) polymerases (PARP) (IC50 = 400 nM). It enhances the cytotoxicity of γ-irradiation and certain anticancer drugs. NU 1025 is also used to study the regulation of deoxyribonucleic acid repair by PARP enzymes.

UsesNU 1025 is an inhibitor of poly(ADP-ribose) polymerases (PARP) (IC50 = 400 nM). It enhances the cytotoxicity of γ-irradiation and certain anticancer drugs. NU 1025 is also used to study the regulation of deoxyribonucleic acid repair by PARP enzymes.[Cayman Chemical]

UsesA potent inhibitor of poly (ADP-ribose) polymerase (PARP). Ki and IC50 values are 48 and 400 nM respectively.

Upstream & downstream products

Suppliers50 total

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
InvivoChem中国13549236410 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against poly(ADP-ribose) polymerase.

Related reactions

2 records
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Linked notes

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