1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol

HCID 791637
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Substructure searchFind similar structures

Basic information

CAS
147591-46-6
Standard SMILES
COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1
InChIKey
VVZNWYXIOADGSW-UHFFFAOYSA-N
Molecular formula
C16H14N2O4
Average molar mass
298.29 g/mol
Monoisotopic mass
298.09535693

Overview

ID-8 is a DYRK inhibitor.

Names & identifiers

Preferred name
1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
IUPAC
1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol
English name
1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
Molecular formula
C16H14N2O4
Molecular weight
298.29

Names & synonyms

ID-8147591-46-61-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-olID 81-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-olMFCD00593367ID 8-d3CHEMBL31854341H-Indol-6-ol, 1-(4-methoxyphenyl)-2-methyl-3-nitro-Cambridge id 5280205Oprea1_439044Oprea1_684907
Show more names
CS-989ID8ID 8 free baseID-8, 10 mM in DMSO1-(4-methoxy-phenyl)-2-methyl-3-nitro-1H-indole-6-ol1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol ID8
CBDivE_013358MLS006011013orb1222679orb1305495SCHEMBL4063265SCHEMBL30697294DTXSID00355103CHEBI:231604

Database identifiers

CAS
147591-46-6
PubChem CID
791637
DTXSID
DTXSID00355103
ChEMBL
CHEMBL3185434
ChEBI
CHEBI:231604
EC Number
663-653-6
Nikkaji
J3.730.168J

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Physicochemical properties

Melting point
266 °C · 266 °C(dec.)
storage temp.
2 · 2-8°C
solubility
10 mg/mL · DMSO: ≥10mg/mL
form
powder
color
yellow
Stability
1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P270, P273, P301+P317, P330, P391, 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

wgk
3
hs_code
2933.99.8290
risk_code
22-50
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn,N

Chemistry & industry

Applications · 3 items

DescriptionID-8 (147591-46-6) enhances stem cell proliferation and protects pluripotency in culture.1Inhibits Dual-specificity tyrosine phosphorylation-regulated kinase (DYRK).2

UsesID 8 is an indole derivative that sustains embryonic stem cell self-renewal in long-term culture.

General DescriptionID-8 is an inhibitor of dual-specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A).

Suppliers85 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
广州弗尔博生物科技有限公司19513720913 · [email protected]
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉尚恩生物技术有限公司17764018385 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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